SCHEMBL5867557

SCHEMBL5867557

COc1ccccc1C(=O)Nc1cc(C2CC2)n[nH]1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 3/20 0.50
KCNK9 Q9NPC2 3/20 0.50
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA1 P30542 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
RAB9A P51151 4/20 0.47
NPC1 O15118 3/20 0.47
GAA P10253 2/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KCNMA1 Q12791 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPK1 P28482 2/20 0.46
BRPF1 P55201 2/20 0.46
MAPT P10636 2/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL5867902 0.87 MAPT (0.49) KCNK3KCNK9RXFP1GAAKMT2A
SCHEMBL7920085 0.86 NPC1 (0.50) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL5867690 0.84 CRACR2A (0.52) KCNK3KCNK9RAB9ANPC1KMT2A
SCHEMBL5867482 0.83 CCNA2 (0.64) RAB9ANPC1GAAKMT2ATP53
SCHEMBL5867879 0.82 MEN1 (0.54) RAB9ANPC1GAAKMT2AMEN1
SCHEMBL5597515 0.82 MAPT (0.53) ADORA3ADORA2ARAB9ANPC1GAA
SCHEMBL5867534 0.81 CCNA2 (0.62) RAB9ANPC1KMT2AMEN1SMN1; SMN2
SCHEMBL5867402 0.80 MMP3 (0.48) RAB9ANPC1KMT2AMEN1POLB
SCHEMBL5868060 0.79 CCNA2 (0.69) RXFP1FOXO1
SCHEMBL5867670 0.78 CCNA2 (0.59) ADORA3ADORA2AADORA1RAB9ANPC1

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