Sulfoximine-containing ATR inhibitor compound

1 . A compound of formula (I), a stereoisomer thereof or a pharmaceutically acceptable salt thereof,

wherein

is a double bond, X is selected from CR a , and Y is selected from N; or, is a single bond, X is selected from C═O, and Y is selected from NR b ;

R a is selected from the group consisting of hydrogen, hydroxy, cyano, halogen, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylamino, C 3-10 cycloalkyl, 3-10 membered heterocycloalkyl and C 3-10 cycloalkyl-C 2-6 alkynyl, wherein the C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkylamino, C 3-10 cycloalkyl, 3-10 membered heterocycloalkyl and C 3-10 cycloalkyl-C 2-6 alkynyl are optionally substituted with one or more halogen, hydroxy or cyano substituents;

R b is selected from the group consisting of hydrogen and C 1-6 alkyl;

R 1 and R 2 are each independently selected from the group consisting of C 1-10 alkyl, C 3-10 cycloalkyl, 3-10 membered heterocycloalkyl, C 6-10 membered aryl and 5-10 membered heteroaryl, wherein the C 3-10 cycloalkyl, 3-10 membered heterocycloalkyl, C 6-10 membered aryl and 5-10 membered heteroaryl are optionally substituted with one or more R c ;

or R 1 and R 2 , together with the sulfur atom to which they are attached, form 3-10 membered heterocyclyl, and the 3-10 membered heterocyclyl is optionally substituted with one or more R d ;

R c and R d are each independently selected from the group consisting of halogen, hydroxy, amino, C 1-6 alkyl, C 1-6 alkoxy, C 1-6 alkyl-C(O)—, C 1-6 alkyl-S(O) 2 —, C 3-10 cycloalkyl, 3-10 membered heterocycloalkyl, C 6-10 membered aryl and 5-10 membered heteroaryl;

R 3 is selected from 5-10 membered heteroaryl optionally substituted with one or more R e ;

R e is selected from the group consisting of hydroxy, amino, halogen, C 1-6 alkyl, C 1-3 haloalkyl, C 3-6 cycloalkyl and 3-6 membered heterocycloalkyl.

2 . The compound according to claim 1 , wherein R a is selected from the group consisting of hydrogen, halogen, C 1-6 alkyl, C 1-6 alkoxy, C 3-10 cycloalkyl and C 3-10 cycloalkyl-C 2-6 alkynyl, wherein the C 1-6 alkyl, C 1-6 alkoxy, C 3-10 cycloalkyl and C 3-10 cycloalkyl-C 2-6 alkynyl are optionally substituted with one or more halogens;

or R a is selected from the group consisting of hydrogen, hydroxy, halogen and C 1-6 alkyl, wherein the C 1-6 alkyl is optionally substituted with one or more halogens;

or R a is selected from the group consisting of hydrogen, hydroxy, halogen and C 1-3 alkyl, wherein the C 1-3 alkyl is optionally substituted with one or more halogens;

or R a is selected from the group consisting of hydrogen, halogen, C 1-4 alkyl, C 1-4 alkoxy, C 3-6 cycloalkyl and C 3-6 cycloalkyl-C 2-4 alkynyl, wherein the C 1-4 alkyl, C 1-4 alkoxy, C 3-6 cycloalkyl and C 3-6 cycloalkyl-C 2-4 alkynyl are optionally substituted with one or more halogens;

or R a is selected from the group consisting of hydrogen, bromine, methyl, n-propyl, isobutyl, tert-butyl, methoxy, cyclopropyl and cyclopropylethynyl, wherein the methyl, n-propyl, isobutyl, tert-butyl, methoxy, cyclopropyl and cyclopropylethynyl are optionally substituted with one or more halogens;

or R a is selected from the group consisting of hydrogen, bromine, methyl, trifluoromethyl, 3,3,3-trifluoropropyl, isobutyl, tert-butyl, difluoromethoxy, cyclopropyl and cyclopropylethynyl;

or R a is selected from the group consisting of hydrogen and bromine.

3 . The compound according to claim 1 , wherein R b is selected from the group consisting of hydrogen and C 1-3 alkyl;

or R b is selected from hydrogen.

4 . The compound according to claim 1 , wherein is a double bond, X is selected from the group consisting of CH and CBr, and Y is selected from N.

5 . The compound according to claim 1 , wherein is a single bond, X is selected from C═O, and Y is selected from NH.

6 . The compound according to claim 1 , wherein R 1 and R 2 are each independently selected from the group consisting of C 1-6 alkyl, C 3-8 cycloalkyl, 3-8 membered heterocycloalkyl, phenyl and 5-6 membered heteroaryl, wherein the C 3-8 cycloalkyl, 3-8 membered heterocycloalkyl, phenyl and 5-6 membered heteroaryl are optionally substituted with one or more R c ;

or R 1 and R 2 are each independently selected from the group consisting of C 1-4 alkyl, C 3-6 cycloalkyl, 3-6 membered heterocycloalkyl, phenyl and 5-6 membered heteroaryl, wherein the C 3-6 cycloalkyl, 3-6 membered heterocycloalkyl, phenyl and 5-6 membered heteroaryl are optionally substituted with one or more R c ;

or R 1 and R 2 are each independently selected from the group consisting of methyl, ethyl, n-propyl, isopropyl, n-butyl, isobutyl, tert-butyl, cyclopropyl, cyclobutyl, cyclopentyl, cyclohexyl, phenyl, pyrrolyl, thienyl, pyridinyl, pyrimidinyl and furanyl, wherein the cyclopropyl, cyclopentyl, cyclohexyl, phenyl, pyrrolyl, thienyl, pyridinyl, pyrimidinyl or furanyl is optionally substituted with one or more R c ;

optionally, R 1 and R 2 are each independently selected from the group consisting of C 1-3 alkyl, C 3-4 cycloalkyl, phenyl and 5-6 membered heteroaryl, wherein the C 3-4 cycloalkyl, phenyl and 5-6 membered heteroaryl are optionally substituted with one or more R c ;

or R 1 and R 2 are each independently selected from the group consisting of methyl, ethyl, tert-butyl, cyclopropyl, cyclopentyl, cyclohexyl, phenyl and pyridinyl, wherein the cyclopropyl, cyclopentyl, cyclohexyl, phenyl and pyridinyl are optionally substituted with one or more R c ;

or R 1 and R 2 are each independently selected from the group consisting of methyl, ethyl, cyclopropyl, phenyl and pyridinyl.

7 . The compound according to claim 1 , wherein R c and R d are each independently selected from the group consisting of halogen, hydroxy, amino, C 1-4 alkyl, C 1-4 alkoxy, C 1-4 alkyl-C(O)—, C 1-4 alkyl-S(O) 2 —, C 3-8 cycloalkyl, 3-8 membered heterocycloalkyl, C 6-8 membered aryl and 5-8 membered heteroaryl;

or R c and R d are each independently selected from the group consisting of halogen, hydroxy, amino, C 1-3 alkyl, C 1-3 alkoxy, C 1-3 alkyl-C(O)—, C 1-3 alkyl-S(O) 2 —, C 3-6 cycloalkyl, 3-6 membered heterocycloalkyl, phenyl and 5-6 membered heteroaryl;

or R c and R d are each independently selected from the group consisting of fluorine, chlorine, bromine, hydroxy, amino, methyl, ethyl, n-propyl, isopropyl, methoxy, ethoxy, n-propoxy, isopropoxy, CH 3 C(O)—, CH 3 CH 2 C(O)—, CH 3 CH 2 CH 2 C(O)—, (CH 3 ) 2 CH(O)—, CH 3 S(O) 2 —, CH 3 CH 2 S(O) 2 —, CH 3 CH 2 CH 2 S(O) 2 —, (CH 3 ) 2 CHS(O) 2 —, cyclopropyl, cyclopentyl, cyclohexyl, tetrahydrofuranyl, tetrahydropyrrolyl, piperazinyl, piperidinyl, phenyl, furanyl, pyrrolyl, thienyl, pyridinyl and pyrimidinyl;

optionally, R c and R d are each independently selected from the group consisting of halogen, hydroxy, amino, C 1-4 alkyl and C 1-4 alkoxy;

or R c and R d are each independently selected from the group consisting of halogen, hydroxy, amino, C 1-3 alkyl and C 1-3 alkoxy;

or R c and R d are each independently selected from the group consisting of halogen and C 1-3 alkyl.

8 . The compound according to claim 1 , wherein R 1 and R 2 , together with the sulfur atom to which they are attached, form 4-, 5-, 6-, 7-, 8-, 9- or 10-membered heterocycloalkyl, and the heterocycloalkyl is optionally substituted with one or more R d ;

or R 1 and R 2 , together with the sulfur atom to which they are attached, form 4-6 membered mono heterocycloalkyl or 7-10 membered spiro heterocycloalkyl, and the mono heterocycloalkyl or spiro heterocycloalkyl is optionally substituted with one or more R d ;

or R 1 and R 2 , together with the sulfur atom to which they are attached, form 4-, 5- or 6-membered mono heterocycloalkyl, or 7- or 9-membered spiro heterocycloalkyl, and the mono heterocycloalkyl or spiro heterocycloalkyl is optionally substituted with 1, 2 or 3 R d ;

or R 1 and R 2 , together with the sulfur atom to which they are attached, form

or R 1 and R 2 , together with the sulfur atom to which they are attached, form

9 . The compound according to claim 1 , wherein R 3 is selected from 5-6 membered heteroaryl optionally substituted with one or more R e ;

or R 3 is selected from 5-membered heteroaryl optionally substituted with one or more R e ;

or R 3 is selected from 5-membered N-containing heteroaryl optionally substituted with one or more R e ;

or R 3 is selected from pyrazolyl optionally substituted with one or more R e ;

or R 3 is selected from pyrazolyl optionally substituted with one R e ;

or R 3 is selected from the group consisting of

or R 3 is selected from the group consisting of

or R 3 is selected from the group consisting of

or R 3 is selected from

10 . The compound according to claim 1 , wherein R e is selected from the group consisting of hydroxy, amino, halogen, C 1-3 alkyl, C 1-3 haloalkyl, C 3-6 cycloalkyl and 3-6 membered heterocycloalkyl;

or R e is selected from the group consisting of C 1-3 alkyl, C 1-3 haloalkyl and C 3-6 cycloalkyl;

or R e is selected from the group consisting of methyl, trifluoromethyl and cyclopropyl.

11 . The compound of formula (I), the stereoisomer thereof or the pharmaceutically acceptable salt thereof according to claim 1 , being selected from a compound of formula (II) or formula (III), a stereoisomer thereof or a pharmaceutically acceptable salt thereof:

wherein

R 1 , R 2 , R b and R e are as defined in claim 1 ;

n is selected from the group consisting of 0, 1 and 2.

12 . The compound of formula (I), the stereoisomer thereof or the pharmaceutically acceptable salt thereof according to claim 1 , being selected from the group consisting of a compound of formula (I-a), a compound of formula (I-b), a compound of formula (II-a), a compound of formula (II-b), a compound of formula (III-a), a compound of formula (III-b), a stereoisomer thereof and a pharmaceutically acceptable salt thereof,

wherein

X, Y, R 1 , R 2 , R 3 , R b and R e are as defined in claim 1 ;

n is selected from the group consisting of 0, 1 and 2.

13 . A compound of Formula (I) a stereoisomer thereof or a pharmaceutically acceptable salt thereof according to claim 1 , wherein the compound of Formula (I) is selected from the group consisting of:

14 . A pharmaceutical composition comprising the compound, the stereoisomer thereof or the pharmaceutically acceptable salt thereof according to claim 1 .

15 . The compound according to claim 6 , wherein the structural unit

is selected from the group consisting of

optionally, the structural unit

is selected from the group consisting of

16 . The compound according to claim 1 , wherein R c is selected from the group consisting of halogen, hydroxy, amino, C 1-3 alkyl, C 1-3 alkoxy, C 1-3 alkyl-C(O)— and C 1-3 alkyl-S(O) 2 —;

or R c is selected from the group consisting of halogen, hydroxy and amino;

or R c is selected from the group consisting of fluorine, chlorine and bromine;

or R c is selected from bromine.

17 . The compound according to claim 1 , wherein R d is selected from the group consisting of halogen, hydroxy, amino, C 1-3 alkyl, C 1-3 alkoxy, C 1-3 alkyl-C(O)—, C 1-3 alkyl-S(O) 2 —, C 3-6 cycloalkyl, 3-6 membered heterocycloalkyl, phenyl and 5-6 membered heteroaryl;

or R d is selected from the group consisting of halogen, hydroxy, amino, C 1-3 alkyl and C 1-3 alkoxy;

or R d is selected from the group consisting of C 1-3 alkyl and C 1-3 alkoxy;

optionally, R d is selected from C 1-6 alkyl;

or R d is selected from C 1-3 alkyl;

or R d is selected from the group consisting of methyl, ethyl, n-propyl and isopropyl;

or R d is selected from methyl.

18 . The compound according to claim 8 , wherein R 1 and R 2 are each independently selected from the group consisting of methyl, ethyl, tert-butyl, cyclopropyl, cyclopentyl, cyclohexyl, phenyl and

or R 1 and R 2 , together with the sulfur atom to which they are attached, form

19 . A method for treating an ATR-related or ATR-mediated disease and/or disorder, comprising administering an effective amount of the compound of Formula (I), the stereoisomer thereof or the pharmaceutically acceptable salt thereof according to claim 1 to a subject in need thereof,

wherein the ATR-related or ATR-mediated disease and/or disorder is optionally a hyperproliferative disease.