SCHEMBL30259333

SCHEMBL30259333

COC(=O)c1ccc2ncn(CC3(CC#N)CC3)c2n1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 2/20 0.35
JAK2 O60674 4/20 0.33
JAK1 P23458 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTGER4 P35408 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
TYK2 P29597 3/20 0.31
JAK3 P52333 3/20 0.31
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
SYK P43405 1/20 0.30
CRBN Q96SW2 1/20 0.30
KCNH2 Q12809 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30538800 0.87 MEN1 (0.32) JAK2JAK1MEN1KMT2ATYK2
SCHEMBL30680673 0.86 PTGER4 (0.35) MEN1KMT2APTGER4USP2LMNA
SCHEMBL29993091 0.79 BRD4 (0.41) USP2LMNAMAPK1CYP11B2
SCHEMBL25005199 0.78 LMNA (0.35) MKNK2JAK2JAK1PTGER4LMNA
SCHEMBL30882773 0.78 LMNA (0.35) MKNK2JAK2JAK1PTGER4LMNA
SCHEMBL30125053 0.74 CYP1A2 (0.39) MEN1KMT2ATSHR
SCHEMBL30538743 0.73 KMT2A (0.42) MEN1KMT2APTGER4TSHRMAPK1
SCHEMBL29079758 0.73 ALDH1A1 (0.40) MEN1KMT2APTGER4TSHRMAPK1
SCHEMBL29558931 0.73 ALDH1A1 (0.40) MEN1KMT2APTGER4TSHRMAPK1
SCHEMBL29079760 0.73 ALDH1A1 (0.40) MEN1KMT2APTGER4TSHRMAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118974037-A Benzobicyclo compound and preparation method and application thereof 广州市联瑞制药有限公司 2024-11-15 CN disclosed
CN-117242067-A Novel aryl ether substituted heterocycles as GLP1R agonists 杭州德睿智药科技有限公司 2023-12-15 CN disclosed
WO-2023169436-A1 BENZO BICYCLIC COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF 广州市联瑞制药有限公司 2023-09-14 WO disclosed
WO-2023011539-A1 CYCLOALKENE DERIVATIVE REGULATOR, PREPARATION METHOD THEREFOR, AND APPLICATION THEREOF 上海翰森生物医药科技有限公司 2023-02-09 WO disclosed