SCHEMBL5867911

SCHEMBL5867911

O=C(Nc1cc(C2CC2)[nH]n1)c1sc2ccccc2c1Cl

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 13/20 0.60
CDK2 P24941 13/20 0.60
CCNA1 P78396 13/20 0.60
NPC1 O15118 6/20 0.55
RAB9A P51151 6/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
HPGD P15428 1/20 0.55
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C19 P33261 1/20 0.53
PPARG P37231 1/20 0.53
NCOA2 Q15596 1/20 0.53
NCOA1 Q15788 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
NCOA3 Q9Y6Q9 1/20 0.53
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
MEN1 O00255 1/20 0.52
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL5867678 0.81 NPC1 (0.55) NPC1RAB9ASMN1; SMN2HPGDKMT2A
SCHEMBL5868009 0.76 CDK2 (0.64) CCNA2CDK2CCNA1
SCHEMBL5867919 0.76 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL4314346 0.75 CCNA2 (1.00) CCNA2CDK2CCNA1
SCHEMBL5867877 0.75 CCNA2 (0.65) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867665 0.74 CCNA2 (0.75) CCNA2CDK2CCNA1
SCHEMBL5867715 0.74 CCNA2 (0.70) CCNA2CDK2CCNA1
SCHEMBL7919995 0.74 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867560 0.74 CDK2 (0.61) CCNA2CDK2CCNA1
SCHEMBL7921614 0.74 CCNA2 (0.82) 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 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
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
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