SCHEMBL4030954

SCHEMBL4030954

COc1ccc(-c2[nH]nc3c2C(=O)c2c-3ccc(N)c2C(=O)NCc2ccc(N)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNE2 O96020 14/20 0.54
CCNE1 P24864 14/20 0.54
CDK2 P24941 14/20 0.54
CDK4 P11802 13/20 0.52
CCND1 P24385 13/20 0.52
MAPT P10636 2/20 0.44
THRB P10828 1/20 0.44
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
KDR P35968 1/20 0.43
MAPKAPK2 P49137 1/20 0.43

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
SCHEMBL4023974 0.83 CCNE1 (0.79) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4023996 0.76 CCNE1 (0.92) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4028776 0.75 CCNE1 (0.87) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5521970 0.72 CCNE2 (0.79) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL14452737 0.72 CDK4 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4025026 0.70 CCNE1 (0.79) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL5515366 0.69 CCNE2 (0.82) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4023836 0.69 CCNE2 (0.85) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4025252 0.69 CCNE2 (0.68) CCNE2CCNE1CDK2CDK4CCND1
SCHEMBL4028783 0.68 CCNE1 (1.00) CCNE2CCNE1CDK2CDK4CCND1

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
EP-1071668-B1 5-AMINOINDENO[1,2-C]PYRAZOL-4-ONES AS ANTI-CANCER AND ANTI-PROLIFERATIVE AGENTS BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-06-03 EP claimed