SCHEMBL5867526

SCHEMBL5867526

COc1ccc2[nH]c(C)c(CC(=O)Nc3cc(C4CC4)[nH]n3)c2c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.62
CCNA2 P20248 7/20 0.62
CCNA1 P78396 7/20 0.62
CDK5 Q00535 3/20 0.61
CDK9 P50750 2/20 0.61
AKR1C2 P52895 1/20 0.54
CCNE1 P24864 11/20 0.53
GSK3B P49841 7/20 0.53
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
CDK5R1 Q15078 2/20 0.50
CCNB2 O95067 1/20 0.50
CCNE2 O96020 1/20 0.50
CDK1 P06493 1/20 0.50
CCNB1 P14635 1/20 0.50
CCNB3 Q8WWL7 1/20 0.50
CCNT1 O60563 1/20 0.50

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
SCHEMBL5867772 0.85 CDK2 (0.62) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867774 0.85 KDM4E (0.54) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5868099 0.78 CDK2 (0.69) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867851 0.77 CDK2 (0.86) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867490 0.77 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL5867592 0.76 CDK2 (0.80) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL6608860 0.76 CDK2 (0.64) CDK2CCNA2CCNA1CDK5CDK9
SCHEMBL8807102 0.76 AKR1C2 (0.63) AKR1C2MTNR1AMTNR1B
SCHEMBL8270880 0.76 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1B
Deboxamet SCHEMBL186946 0.76 AKR1C2 (0.74) AKR1C2MTNR1AMTNR1B

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 12 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
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 CN 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
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 CN 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