SCHEMBL5868090

SCHEMBL5868090

COc1ccc(-c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)cc1OC

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.72
CCNA2 P20248 12/20 0.72
CCNA1 P78396 12/20 0.72
CDK5 Q00535 4/20 0.68
CDK9 P50750 3/20 0.68
CCNE1 P24864 4/20 0.66
CDK5R1 Q15078 3/20 0.66
CCNT1 O60563 1/20 0.64
CCNB2 O95067 1/20 0.59
CCNE2 O96020 1/20 0.59
CDK1 P06493 1/20 0.59
CCNB1 P14635 1/20 0.59
CCNB3 Q8WWL7 1/20 0.59
NPY5R Q15761 1/20 0.57
GSK3B P49841 1/20 0.56

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
SCHEMBL5867817 0.89 CDK2 (0.66) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867851 0.89 CDK2 (0.86) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5868084 0.86 CDK2 (0.72) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5868289 0.86 CDK2 (0.80) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867408 0.85 CDK2 (0.67) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867658 0.85 CDK2 (0.73) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867472 0.85 CDK2 (0.81) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867588 0.85 CDK2 (0.82) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867369 0.84 CDK2 (0.68) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867435 0.84 CDK2 (0.77) CDK2CCNA2CCNA1CDK5CDK9

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 11 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
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 disclosed
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 disclosed
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 disclosed