SCHEMBL7921614

SCHEMBL7921614

O=C(Nc1cc(C2CC2)[nH]n1)c1cccc(Cl)c1Cl

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 20/20 0.82
CDK2 P24941 20/20 0.82
CCNA1 P78396 20/20 0.82

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
SCHEMBL5867919 0.90 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867665 0.86 CCNA2 (0.75) CCNA2CDK2CCNA1
SCHEMBL5867516 0.81 CCNA2 (0.76) CCNA2CDK2CCNA1
SCHEMBL29164892 0.81 CCNA2 (0.67) CCNA2CDK2CCNA1
SCHEMBL5868100 0.81 CCNA2 (0.70) CCNA2CDK2CCNA1
SCHEMBL5867716 0.80 CCNA2 (0.73) CCNA2CDK2CCNA1
SCHEMBL5867521 0.79 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL7919995 0.78 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867532 0.78 CDK2 (0.68) CCNA2CDK2CCNA1
SCHEMBL5867679 0.78 CCNA2 (0.67) CCNA2CDK2CCNA1

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
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US disclosed