SCHEMBL5867527

SCHEMBL5867527

O=C(CNC(=O)c1ccccc1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 0.75

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.75
CCNA2 P20248 19/20 0.75
CCNA1 P78396 19/20 0.75
CCNE1 P24864 2/20 0.57
CDK5 Q00535 2/20 0.57
CDK5R1 Q15078 2/20 0.57
CCNB2 O95067 1/20 0.57
CCNE2 O96020 1/20 0.57
CDK1 P06493 1/20 0.57
CCNB1 P14635 1/20 0.57
CCNB3 Q8WWL7 1/20 0.57
CDK9 P50750 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
SCHEMBL4314346 0.86 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL5867719 0.80 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867556 0.79 CDK2 (0.85) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867510 0.78 CDK2 (0.70) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867894 0.77 CDK2 (0.64) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867579 0.76 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867615 0.76 CCNA2 (0.79) CDK2CCNA2CCNA1
SCHEMBL6194008 0.76 CDK2 (0.75) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL19400767 0.76 CCNA2 (0.79) CDK2CCNA2CCNA1
SCHEMBL6385145 0.76 CDK2 (0.90) CDK2CCNA2CCNA1CCNE1CDK5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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