SCHEMBL5867410

SCHEMBL5867410

O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)[nH]n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 1.00
CCNA2 P20248 13/20 1.00
CCNA1 P78396 13/20 1.00
CDK5 Q00535 3/20 1.00
CCNE1 P24864 2/20 1.00
CDK5R1 Q15078 2/20 1.00
CCNB2 O95067 1/20 1.00
CCNE2 O96020 1/20 1.00
CDK1 P06493 1/20 1.00
CCNB1 P14635 1/20 1.00
CCNB3 Q8WWL7 1/20 1.00
CDK9 P50750 2/20 0.67
NPY5R Q15761 1/20 0.60

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
SCHEMBL25225939 0.95 CDK2 (0.91) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6387681 0.95 CDK2 (0.91) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6389529 0.94 CDK2 (0.89) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867728 0.91 CDK2 (0.84) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867444 0.90 CDK2 (0.81) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6386299 0.88 CDK2 (0.78) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867719 0.87 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL6389757 0.85 CDK2 (0.72) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867579 0.85 CDK2 (1.00) CDK2CCNA2CCNA1CDK5CCNE1
SCHEMBL5867666 0.83 CDK2 (0.72) CDK2CCNA2CCNA1CDK5CCNE1

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
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
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