SCHEMBL17023123

SCHEMBL17023123

Cc1cccc(C)c1-c1ccc(OC(=O)Nc2ccc(OCCN(C)C)cc2)c2nccnc12

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.52
KDR P35968 4/20 0.44
FAAH O00519 9/20 0.42
LCK P06239 1/20 0.41
SRC P12931 1/20 0.41
MAPK14 Q16539 1/20 0.41
HSP90AA1 P07900 1/20 0.40
BCHE P06276 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 1/20 0.40
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL1126140 0.85 HRH3 (0.53) HRH3KDRKEAP1NFE2L2
SCHEMBL17023135 0.84 FAAH (0.53) HRH3FAAH
SCHEMBL17023093 0.83 FGFR3 (0.55) HRH3KDR
SCHEMBL17023109 0.80 HRH3 (0.41) HRH3FAAHHSP90AA1BCHE
SCHEMBL17023106 0.80 HRH3 (0.47) HRH3KDRLCKSRCMAPK14
SCHEMBL17023029 0.75 FGFR3 (0.50)
SCHEMBL17023184 0.74 HSP90AA1 (0.38) HSP90AA1
SCHEMBL3352671 0.71 FGFR3 (0.44) HRH3KDR
SCHEMBL17023015 0.71 L3MBTL1 (0.54) HSP90AA1
SCHEMBL12678226 0.70 FGFR3 (0.72) KDR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2282995-B1 DERIVATIVES OF QUINOLINES AND QUINOXALINES AS PROTEIN TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2015-08-26 EP claimed