SCHEMBL22650387

SCHEMBL22650387

Cc1cc(-c2nc(Cl)ncc2F)cc2c(C(C)C)cnn12

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.31
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 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
SCHEMBL22650388 0.85 MAPK8 (0.32)
SCHEMBL22650740 0.79 RPS6KA5 (0.32) SMN1; SMN2
SCHEMBL19966497 0.72 CDK4 (0.38) CDK4CCND1CCND3CDK6
SCHEMBL24619604 0.71 CDK4 (0.31) CDK4CCND3CDK6
SCHEMBL29684460 0.71 CDK4 (0.31) CDK4CCND3CDK6
SCHEMBL19966537 0.71 CDK4 (0.35) SMN1; SMN2CDK4CCND1CCND3CDK6
SCHEMBL2514899 0.70 CDK4 (0.55) CDK4CCND1CCND3CDK6
SCHEMBL29669654 0.70 CDK4 (0.55) CDK4CCND1CCND3CDK6
SCHEMBL19966561 0.68 KMO (0.38) SMN1; SMN2CDK4
SCHEMBL24632941 0.68 CDK4 (0.43) SMN1; SMN2CDK4CCND1CCND3CDK6

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-2020224568-A1 CDK INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2020-11-12 WO disclosed