SCHEMBL25764571

SCHEMBL25764571

COc1nc(N)c(N)cc1-c1cnn(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMARCA2 P51531 1/20 0.45
SMARCA4 P51532 1/20 0.45
LRRK2 Q5S007 3/20 0.44
PIK3CD O00329 2/20 0.42
PIK3CA P42336 2/20 0.42
PIK3CG P48736 2/20 0.42
TTK P33981 2/20 0.40
AURKA O14965 1/20 0.40
AURKB Q96GD4 1/20 0.40
INCENP Q9NQS7 1/20 0.40
MAP4K4 O95819 1/20 0.40
CCNA2 P20248 2/20 0.39
CDK2 P24941 2/20 0.39
CHEK1 O14757 1/20 0.39
CCNA1 P78396 1/20 0.39
PLAU P00749 1/20 0.38
FGFR1 P11362 5/20 0.38
FGFR3 P22607 5/20 0.38
CSF1R P07333 2/20 0.38
PIK3CB P42338 1/20 0.38

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
SCHEMBL3702290 0.86 PIK3CG (0.45) SMARCA2SMARCA4LRRK2PIK3CDPIK3CA
SCHEMBL29824713 0.78 LRRK2 (0.41) SMARCA2SMARCA4LRRK2PIK3CDPIK3CA
SCHEMBL23630930 0.78 SMARCA2 (0.43) SMARCA2SMARCA4LRRK2PIK3CDPIK3CA
SCHEMBL3702267 0.78 LRRK2 (0.42) SMARCA2SMARCA4LRRK2PIK3CDPIK3CA
SCHEMBL20150492 0.78 LRRK2 (0.42) LRRK2PIK3CDPIK3CAPIK3CGTTK
SCHEMBL23421146 0.73 LRRK2 (0.49) LRRK2PIK3CDPIK3CATTK
SCHEMBL2745470 0.73 QPCT (0.46) PIK3CDPIK3CAPIK3CGTTKAURKA
SCHEMBL22047858 0.73 MAPT (0.58) LRRK2PIK3CDPIK3CAPIK3CGTTK
SCHEMBL19171737 0.72 FGFR1 (0.40) SMARCA2SMARCA4LRRK2PIK3CDPIK3CA
SCHEMBL29757761 0.72 CHEK1 (0.55) CCNA2CDK2CHEK1CCNA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023116888-A1 FIVE- AND SIX-MEMBERED COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed