SCHEMBL17023184

SCHEMBL17023184

Cc1cccc(C)c1-c1ccc(OC(=O)Nc2ncc[nH]2)c2nccnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 2/20 0.38
ADRA2A P08913 5/20 0.35
ADRA2C P18825 4/20 0.35
FGFR3 P22607 4/20 0.35
ADRA1D P25100 3/20 0.34
ADRA1A P35348 3/20 0.34
ADRA1B P35368 3/20 0.34
FFAR2 O15552 1/20 0.34
PTGES O14684 2/20 0.34
NR3C1 P04150 1/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HPGDS O60760 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CSNK1A1 P48729 1/20 0.32
TYRO3 Q06418 1/20 0.32

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
SCHEMBL17023146 0.83 ADRA2A (0.34) HSP90AA1ADRA2AADRA2CFGFR3ADRA1D
SCHEMBL1126565 0.82 FGFR3 (0.45) FGFR3PTGESMAPTHSD17B10
SCHEMBL17023104 0.81 FGFR3 (0.53) FGFR3
SCHEMBL17023143 0.81 HSP90AA1 (0.44) HSP90AA1ADRA2AADRA2CFGFR3MAPT
SCHEMBL17023080 0.80 HSP90AA1 (0.38) HSP90AA1ADRA2AFGFR3NR3C1MAPT
SCHEMBL17023129 0.76 FGFR3 (0.46) HSP90AA1FGFR3MAPTKDM4EMEN1
SCHEMBL17023018 0.76 FGFR3 (0.45) HSP90AA1FGFR3NR3C1MAPTKDM4E
SCHEMBL17023046 0.76 FGFR3 (0.42) FGFR3
SCHEMBL17023037 0.75 HPGDS (0.44) HSP90AA1ADRA2AADRA2CFGFR3ADRA1D
SCHEMBL17023123 0.74 HRH3 (0.52) HSP90AA1

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