SCHEMBL5867547

SCHEMBL5867547

O=C(Nc1cc(C2CC2)n[nH]1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.50
CCNA2 P20248 6/20 0.49
CDK2 P24941 6/20 0.49
CCNA1 P78396 6/20 0.49
HDAC6 Q9UBN7 2/20 0.46
PTGS1 P23219 1/20 0.44
ESR1 P03372 1/20 0.43
NPC1 O15118 2/20 0.43
KCNQ3 O43525 1/20 0.43
KCNQ2 O43526 1/20 0.43
KCNE1 P15382 1/20 0.43
KCNQ1 P51787 1/20 0.43
HIF1A Q16665 1/20 0.43
EPAS1 Q99814 1/20 0.43
MEN1 O00255 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC3 O15379 1/20 0.42

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
SCHEMBL5867803 0.90 CCNA2 (0.52) MCHR1CCNA2CDK2CCNA1HDAC6
SCHEMBL5867572 0.88 CCNA2 (0.65) CCNA2CDK2CCNA1PTGS1ESR1
SCHEMBL5867872 0.88 SCN9A (0.52) MCHR1CCNA2CDK2CCNA1HDAC6
SCHEMBL5867828 0.87 CCNA2 (0.49) CCNA2CDK2CCNA1ESR1NPC1
SCHEMBL5867703 0.85 GCGR (0.49) CCNA2CDK2CCNA1NPC1MEN1
SCHEMBL5867600 0.85 CCNA2 (0.60) CCNA2CDK2CCNA1HDAC6NPC1
SCHEMBL5867407 0.85 CCNA2 (0.64) CCNA2CDK2CCNA1HDAC6NPC1
SCHEMBL5868122 0.84 CCNA2 (0.61) CCNA2CDK2CCNA1HDAC6HDAC3
SCHEMBL5867549 0.84 CCNA2 (0.61) CCNA2CDK2CCNA1HDAC6HDAC3
SCHEMBL5867742 0.84 CCNA2 (0.49) CCNA2CDK2CCNA1HDAC6HDAC3

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 7 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 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
CN-1373662-A 3(5)-amino-pyrazole derivs., process for their preparation and their use as antitumor agents PHARMACIA & UP JOHN S P A (IT) 2002-10-09 CN 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