SCHEMBL5867688

SCHEMBL5867688

O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(F)cc1F

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 19/20 0.61
CDK2 P24941 19/20 0.61
CCNA1 P78396 19/20 0.61
NPC1 O15118 1/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2C19 P33261 1/20 0.54
RAB9A P51151 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54

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
SCHEMBL5868051 0.83 CCNA2 (0.78) CCNA2CDK2CCNA1
SCHEMBL5867638 0.80 CCNA2 (0.71) CCNA2CDK2CCNA1
SCHEMBL5867629 0.80 CCNA2 (0.74) CCNA2CDK2CCNA1
SCHEMBL5867484 0.80 CDK2 (0.62) CCNA2CDK2CCNA1
SCHEMBL5867679 0.79 CCNA2 (0.67) CCNA2CDK2CCNA1
SCHEMBL5867929 0.79 CCNA2 (0.74) CCNA2CDK2CCNA1
SCHEMBL5867628 0.78 CCNA2 (0.63) CCNA2CDK2CCNA1
SCHEMBL5867516 0.78 CCNA2 (0.76) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867680 0.77 CDK2 (0.62) CCNA2CDK2CCNA1
SCHEMBL5867716 0.76 CCNA2 (0.73) 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 13 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
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