SCHEMBL5867686

SCHEMBL5867686

COC(=O)c1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.49
CDK2 P24941 8/20 0.49
CCNA1 P78396 8/20 0.49
KMT2A Q03164 4/20 0.43
F2 P00734 4/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
ATM Q13315 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.41
MAPT P10636 3/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
PTPN1 P18031 1/20 0.40

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
SCHEMBL5868042 0.89 CCNA2 (0.63) CCNA2CDK2CCNA1KMT2ANPC1
SCHEMBL5867451 0.87 CCNA2 (0.49) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867600 0.85 CCNA2 (0.60) CCNA2CDK2CCNA1KMT2ANPC1
SCHEMBL5867407 0.85 CCNA2 (0.64) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867828 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1KMT2AF2
SCHEMBL5867742 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1
SCHEMBL5868122 0.84 CCNA2 (0.61) CCNA2CDK2CCNA1
SCHEMBL5867549 0.84 CCNA2 (0.61) CCNA2CDK2CCNA1F2
SCHEMBL5867670 0.84 CCNA2 (0.59) CCNA2CDK2CCNA1F2NPC1
SCHEMBL5867785 0.83 CCNA2 (0.48) CCNA2CDK2CCNA1KMT2ANPC1

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