SCHEMBL5867947

SCHEMBL5867947

O=C(Cc1cccc(Cl)c1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.52
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
CSNK1D P48730 2/20 0.48
CDK2 P24941 5/20 0.48
CCNA2 P20248 4/20 0.48
CCNA1 P78396 4/20 0.48
KCNQ2 O43526 6/20 0.46
SIGMAR1 Q99720 1/20 0.46
CACNA1G O43497 1/20 0.46
CACNA1H O95180 1/20 0.46
CACNA1C Q13936 1/20 0.46
CACNA1I Q9P0X4 1/20 0.46
MAPK8 P45983 1/20 0.45
CDK1 P06493 2/20 0.44
CDK4 P11802 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
CCNB1 P14635 1/20 0.44

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
SCHEMBL5867926 0.88 CDK2 (0.62) EPHX2CDK2CCNA2CCNA1CDK1
SCHEMBL5867496 0.86 LMNA (0.50) MEN1KMT2ACDK2CCNA2CCNA1
SCHEMBL5868067 0.84 CDK2 (0.67) MEN1ALDH1A1KMT2ACSNK1DCDK2
SCHEMBL31516982 0.83 KCNQ2 (0.39) EPHX2ALDH1A1CDK2CCNA2CCNA1
SCHEMBL5867749 0.83 CDK2 (0.49) CDK2CCNA2CCNA1CDK1CCNB2
SCHEMBL6385065 0.83 CDK2 (0.43) EPHX2CDK2CCNA2CCNA1CDK1
SCHEMBL5867533 0.82 CYP1A2 (0.48) CDK2CCNA2CCNA1SIGMAR1MAPK8
SCHEMBL12589642 0.82 CCNA2 (0.65) MEN1KMT2ACDK2CCNA2CCNA1
SCHEMBL6387976 0.82 POLB (0.51) MEN1KMT2ACDK2CCNA2CCNA1
SCHEMBL5597655 0.82 CNR1 (0.56) MEN1ALDH1A1KMT2A

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 14 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
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
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
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 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