SCHEMBL5867533

SCHEMBL5867533

O=C(Cc1cccnc1)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
SIGMAR1 Q99720 1/20 0.47
CCNA2 P20248 2/20 0.47
CDK2 P24941 2/20 0.47
CCNA1 P78396 2/20 0.47
CRACR2A Q9BSW2 1/20 0.47
PARP1 P09874 1/20 0.46
ROCK2 O75116 1/20 0.44
PSMB8 P28062 2/20 0.44
MAPK8 P45983 1/20 0.44
PDE3B Q13370 1/20 0.43
GLS O94925 2/20 0.43
ERCC1 P07992 1/20 0.43
ERCC4 Q92889 1/20 0.43
NAPRT Q6XQN6 1/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42

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 0.87 CDK2 (0.62) CCNA2CDK2CCNA1CRACR2AGLS
SCHEMBL5867952 0.85 CDK2 (0.48) SIGMAR1CCNA2CDK2CCNA1CRACR2A
SCHEMBL6389438 0.83 CCNA2 (0.43) CYP1A2CYP3A4CYP2C9SIGMAR1CCNA2
SCHEMBL6389434 0.83 CCNA2 (0.43) CYP1A2CYP3A4CYP2C9SIGMAR1CCNA2
SCHEMBL5867947 0.82 EPHX2 (0.52) SIGMAR1CCNA2CDK2CCNA1MAPK8
SCHEMBL6386716 0.81 CDK9 (0.45) CYP1A2CYP3A4CYP2C9SIGMAR1CCNA2
SCHEMBL6386720 0.81 CDK9 (0.45) CYP1A2CYP3A4CYP2C9SIGMAR1CCNA2
SCHEMBL22509345 0.81 CDK2 (0.44) CCNA2CDK2CCNA1
SCHEMBL5867496 0.81 LMNA (0.50) CCNA2CDK2CCNA1
SCHEMBL5867593 0.80 CDK2 (0.65) CCNA2CDK2CCNA1ROCK2

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 11 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
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