SCHEMBL5867871

SCHEMBL5867871

O=C(Nc1cc(C2CC2)[nH]n1)c1ccc2ccccc2c1

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.74
CDK2 P24941 19/20 0.74
CCNA1 P78396 19/20 0.74
CCNB2 O95067 1/20 0.66
CCNE2 O96020 1/20 0.66
CDK1 P06493 1/20 0.66
CCNB1 P14635 1/20 0.66
CCNE1 P24864 1/20 0.66
CDK5 Q00535 1/20 0.66
CDK5R1 Q15078 1/20 0.66
CCNB3 Q8WWL7 1/20 0.66
HPGDS O60760 1/20 0.61

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 0.85 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867556 0.84 CDK2 (0.85) CCNA2CDK2CCNA1CCNE1CDK5
SCHEMBL5867615 0.83 CCNA2 (0.79) CCNA2CDK2CCNA1HPGDS
SCHEMBL7919995 0.82 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867929 0.81 CCNA2 (0.74) CCNA2CDK2CCNA1
SCHEMBL5867578 0.81 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL5867924 0.81 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867729 0.81 CCNA2 (0.78) CCNA2CDK2CCNA1HPGDS
SCHEMBL5868051 0.81 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL5867865 0.80 CCNA2 (0.74) CCNA2CDK2CCNA1

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
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
US-6218418-B1 THERAPY OF CELL PROLIFERATIVE DISORDERS ASSOCIATED WITH AN ALTERED CELL DEPENDENT KINASE ACTIVITY BY ADMINISTERING AMINO PYRAZOLE DERIVATIVE TO MAMMAL PHARMACIA & UPJOHN S.P.A (IT) 2001-04-17 US 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
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
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