SCHEMBL5867556

SCHEMBL5867556

O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.85
CCNA2 P20248 19/20 0.85
CCNA1 P78396 19/20 0.85
CCNE1 P24864 1/20 0.63
CDK9 P50750 1/20 0.63
CDK5 Q00535 1/20 0.63
CDK5R1 Q15078 1/20 0.63

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
SCHEMBL4314346 0.92 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL5867615 0.86 CCNA2 (0.79) CDK2CCNA2CCNA1
SCHEMBL7919995 0.85 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL5867924 0.84 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL5867578 0.84 CCNA2 (0.78) CDK2CCNA2CCNA1
SCHEMBL5868051 0.84 CCNA2 (0.78) CDK2CCNA2CCNA1
SCHEMBL5867729 0.84 CCNA2 (0.78) CDK2CCNA2CCNA1
SCHEMBL5867871 0.84 CCNA2 (0.74) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5868066 0.82 CCNA2 (0.78) CDK2CCNA2CCNA1
SCHEMBL5867579 0.81 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7034049-B1 3(5)-amino-pyrazole derivatives, process for their preparation and their use as antitumor agents PHARMACIA ITALIA S.P.A. (IT) 2006-04-25 US disclosed
EP-1202733-B1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2005-10-05 EP disclosed