SCHEMBL5867709

SCHEMBL5867709

Cc1cccc(-c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)c1C

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.72
CCNA2 P20248 14/20 0.72
CCNA1 P78396 14/20 0.72
CDK5 Q00535 3/20 0.65
CCNE1 P24864 2/20 0.65
CDK5R1 Q15078 2/20 0.65
CDK9 P50750 2/20 0.65
CCNB2 O95067 1/20 0.60
CCNE2 O96020 1/20 0.60
CDK1 P06493 1/20 0.60
CCNB1 P14635 1/20 0.60
CCNB3 Q8WWL7 1/20 0.60

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
SCHEMBL5867499 0.85 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867588 0.84 CDK2 (0.82) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867931 0.84 CDK2 (0.68) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867601 0.84 CDK2 (0.70) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867824 0.84 CDK2 (0.74) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867868 0.84 CDK2 (0.74) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5868089 0.84 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867492 0.84 CDK2 (0.70) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867717 0.84 CDK2 (0.83) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5868049 0.84 CDK2 (0.77) CDK2CCNA2CCNA1CDK5CCNE1

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 8 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 claimed
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 claimed
EP-1202733-A4 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA SPA (IT) 2003-05-14 EP claimed
JP-2003507329-A 2003-02-25 JP claimed
EP-1202733-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS Pharmacia Italia S.p.A. (IT) 2002-05-08 EP claimed
WO-2001012189-A1 3(5)-AMINO-PYRAZOLE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS ANTITUMOR AGENTS PHARMACIA ITALIA S.P.A. (IT) 2001-02-22 WO claimed
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