SCHEMBL5868084

SCHEMBL5868084

COc1ccc(OC)c(-c2ccc(CC(=O)Nc3cc(C4CC4)[nH]n3)cc2)c1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 20/20 0.72
CDK5 Q00535 4/20 0.72
CDK9 P50750 3/20 0.72
CCNA2 P20248 12/20 0.68
CCNA1 P78396 12/20 0.68
CCNE1 P24864 6/20 0.60
CDK5R1 Q15078 3/20 0.60
CCNT1 O60563 1/20 0.60
GSK3B P49841 3/20 0.59
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

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
SCHEMBL5867658 0.93 CDK2 (0.73) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867408 0.90 CDK2 (0.67) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867851 0.89 CDK2 (0.86) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5868090 0.86 CDK2 (0.72) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5868289 0.85 CDK2 (0.80) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5868099 0.84 CDK2 (0.69) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867817 0.82 CDK2 (0.66) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867369 0.81 CDK2 (0.68) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867985 0.81 CDK2 (0.73) CDK2CDK5CDK9CCNA2CCNA1
SCHEMBL5867492 0.81 CDK2 (0.70) CDK2CDK5CDK9CCNA2CCNA1

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 7 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
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