SCHEMBL5867591

SCHEMBL5867591

O=C(Cc1ccc(-c2ccc([N+](=O)[O-])cn2)cc1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.63
CCNA2 P20248 11/20 0.63
CCNA1 P78396 11/20 0.63
CDK5 Q00535 3/20 0.58
CCNE1 P24864 2/20 0.58
CDK5R1 Q15078 2/20 0.58
CDK9 P50750 2/20 0.58
CCNB2 O95067 1/20 0.54
CCNE2 O96020 1/20 0.54
CDK1 P06493 1/20 0.54
CCNB1 P14635 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
CDK12 Q9NYV4 4/20 0.52
CDK7 P50613 1/20 0.52
CDK13 Q14004 1/20 0.52

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
SCHEMBL5868103 0.85 CDK2 (0.69) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5868184 0.83 CDK2 (0.68) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867381 0.83 CDK2 (0.74) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5868014 0.81 CDK2 (0.77) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867595 0.80 CDK2 (0.63) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867405 0.79 CDK2 (0.70) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867518 0.78 CDK2 (0.83) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867579 0.78 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867848 0.78 CDK2 (0.83) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6192669 0.78 CDK2 (0.87) 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 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