SCHEMBL31469628

SCHEMBL31469628

CC(C)n1ncc2ccc(N)nc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 9/20 0.39
ABL1 P00519 7/20 0.39
PIK3CD O00329 6/20 0.39
HCK P08631 6/20 0.39
PIK3CA P42336 6/20 0.39
PIK3CB P42338 6/20 0.39
PIK3CG P48736 6/20 0.39
PRKDC P78527 6/20 0.39
EGFR P00533 5/20 0.39
KDR P35968 5/20 0.39
MTOR P42345 5/20 0.39
EPHB4 P54760 5/20 0.39
AURKA O14965 1/20 0.35
CDK1 P06493 1/20 0.35
AURKB Q96GD4 1/20 0.35
MCHR1 Q99705 2/20 0.35
KDM4E B2RXH2 1/20 0.35
ACACB O00763 1/20 0.34
ACACA Q13085 1/20 0.34
PDE9A O76083 4/20 0.33

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
SCHEMBL30592277 0.81 PIK3CD (0.38) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL19531870 0.81 PIK3CD (0.38) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL26605336 0.80 MCHR1 (0.39) MCHR1
SCHEMBL31018609 0.78 MCHR1 (0.32) PIK3CDMCHR1
SCHEMBL17807753 0.78 KDM4E (0.48) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL23507944 0.75 KDM4E (0.33) AURKACDK1AURKBKDM4EPDE9A
SCHEMBL23346697 0.75 PI4KA (0.40) PIK3CBNOS3NOS1NOS2
SCHEMBL30168568 0.75 PI4KA (0.40) PIK3CBNOS3NOS1NOS2
SCHEMBL31403624 0.74 CDK1 (0.43) SRCABL1PIK3CDHCKPIK3CA
SCHEMBL31469657 0.74 HTR2A (0.41) PDE9A

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-2025079989-A1 PYRAZOLO[3,4-B]PYRIDINE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사유한양행 2025-04-17 WO disclosed