SCHEMBL5867459

SCHEMBL5867459

O=C(Cc1ccccc1)c1c[nH]c(C(=O)Nc2cc(C3CC3)[nH]n2)c1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 17/20 0.65
CCNA2 P20248 16/20 0.65
CCNA1 P78396 16/20 0.65
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
CCNE1 P24864 2/20 0.53
CDK5 Q00535 2/20 0.53
CDK5R1 Q15078 2/20 0.53
CDK9 P50750 1/20 0.53
GAA P10253 1/20 0.52
RAB9A P51151 1/20 0.52
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CDK1 P06493 1/20 0.51
CCNB1 P14635 1/20 0.51
CCNB3 Q8WWL7 1/20 0.51

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
SCHEMBL5867530 0.90 CDK2 (0.54) CDK2CCNA2CCNA1ALDH1A1LMNA
SCHEMBL5867758 0.82 CCNA2 (0.62) CDK2CCNA2CCNA1ALDH1A1
SCHEMBL5868112 0.81 CCNA2 (0.55) CDK2CCNA2CCNA1
SCHEMBL5867756 0.81 CCNA2 (0.55) CDK2CCNA2CCNA1ALDH1A1
SCHEMBL5867997 0.80 CCNA2 (0.57) CDK2CCNA2CCNA1
SCHEMBL4314346 0.80 CCNA2 (1.00) CDK2CCNA2CCNA1
SCHEMBL5867857 0.79 CCNA2 (0.60) CDK2CCNA2CCNA1LMNA
SCHEMBL5867719 0.79 CDK2 (1.00) CDK2CCNA2CCNA1CCNE1CDK5
SCHEMBL5867899 0.79 CCNA2 (0.60) CDK2CCNA2CCNA1
SCHEMBL5868159 0.79 CCNA2 (0.60) CDK2CCNA2CCNA1ALDH1A1

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 8 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
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
CN-1454091-A Immunostimulatory nucleic acids UNIV IOWA RES FOUND (US) 2003-11-05 CN 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