SCHEMBL31469698

SCHEMBL31469698

CCC(C)n1ncc2ccc(Cl)nc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.35
HTR2A P28223 3/20 0.33
HTR2C P28335 3/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
CCND2 P30279 1/20 0.33
CCND3 P30281 1/20 0.33
KDM5A P29375 1/20 0.32
HTR2B P41595 1/20 0.32
CDK2 P24941 1/20 0.31
CYP11B2 P19099 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
SCHEMBL30592277 0.83 PIK3CD (0.38) KMOHTR2AHTR2CKDM5A
SCHEMBL19531870 0.83 PIK3CD (0.38) KMOHTR2AHTR2CKDM5A
SCHEMBL31018589 0.82 KMO (0.36) KMOHTR2AHTR2CKDM5A
SCHEMBL29311529 0.74 KDM4E (0.45) L3MBTL1CDK4CCND1CCND2CCND3
SCHEMBL17682603 0.73 GAA (0.38) KMOHTR2AHTR2CHTR2BCYP11B2
SCHEMBL31469691 0.73 GAA (0.38) KMOHTR2AHTR2CHTR2BCYP11B2
SCHEMBL31469669 0.72 HTR2A (0.43) KMOHTR2AHTR2CHTR2B
SCHEMBL26605336 0.72 MCHR1 (0.39) KMOHTR2AHTR2CHTR2B
SCHEMBL18898692 0.71 AURKA (0.30) L3MBTL1CDK4CCND1CCND2CCND3
SCHEMBL31229840 0.71 CCR4 (0.46) KMO

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