SCHEMBL5867965

SCHEMBL5867965

O=C(c1cccc(Cl)c1)c1c[nH]c(C(=O)Nc2cc(C3CC3)[nH]n2)c1

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 17/20 0.73
CDK2 P24941 17/20 0.73
CCNA1 P78396 17/20 0.73
MAPK7 Q13164 1/20 0.51
MAPK14 Q16539 1/20 0.51
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
KMT2A Q03164 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL5867441 0.88 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867885 0.88 CCNA2 (0.60) CCNA2CDK2CCNA1MAPK7MAPK14
SCHEMBL5867521 0.85 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867928 0.82 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL5867899 0.80 CCNA2 (0.60) CCNA2CDK2CCNA1MAPK7MAPK14
SCHEMBL5868159 0.80 CCNA2 (0.60) CCNA2CDK2CCNA1MAPK14ALDH1A1
SCHEMBL5867427 0.80 CDK2 (0.57) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867857 0.79 CCNA2 (0.60) CCNA2CDK2CCNA1
SCHEMBL7919995 0.78 CCNA2 (1.00) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867701 0.77 CCNA2 (0.56) 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 6 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
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