SCHEMBL5868042

SCHEMBL5868042

COc1ccc(C(=O)Nc2cc(C3CC3)n[nH]2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 3/20 0.63
CDK2 P24941 3/20 0.63
CCNA1 P78396 3/20 0.63
ADCY1 Q08828 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
ALDH1A1 P00352 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
GAA P10253 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
ALOX15 P16050 1/20 0.48
CSNK2A2 P19784 1/20 0.47
CSNK2A1 P68400 1/20 0.47

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
SCHEMBL5867686 0.89 CCNA2 (0.49) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867793 0.89 CCNA2 (0.52) CCNA2CDK2CCNA1RAB9ASMN1; SMN2
SCHEMBL5867683 0.87 CCNA2 (0.65) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867785 0.87 CCNA2 (0.48) CCNA2CDK2CCNA1ADCY1NPC1
SCHEMBL5867879 0.87 MEN1 (0.54) CCNA2CDK2CCNA1NPC1RAB9A
SCHEMBL5867887 0.86 CDK2 (0.51) CCNA2CDK2CCNA1ADCY1NPC1
SCHEMBL5867451 0.86 CCNA2 (0.49) CCNA2CDK2CCNA1ADCY1NPC1
SCHEMBL5868003 0.85 CCNA2 (0.56) CCNA2CDK2CCNA1ADCY1NPC1
SCHEMBL5867780 0.85 CCNA2 (0.46) CCNA2CDK2CCNA1HDAC6HDAC1
SCHEMBL5867494 0.84 CCNA2 (0.46) CCNA2CDK2CCNA1ADCY1SMN1; SMN2

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
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 claimed
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
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