SCHEMBL16070054

SCHEMBL16070054

CCCCOc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCOCC1

nearest known ligand 0.90

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 16/20 0.90
KDR P35968 7/20 0.90
FLT3 P36888 5/20 0.90
AXL P30530 4/20 0.90
RET P07949 2/20 0.90
PDGFRB P09619 2/20 0.90
KIT P10721 2/20 0.90
PLK4 O00444 1/20 0.90
STK25 O00506 1/20 0.90
CIT O14578 1/20 0.90
AURKA O14965 1/20 0.90
CHUK O15111 1/20 0.90
MUSK O15146 1/20 0.90
EPHB6 O15197 1/20 0.90
MAPK13 O15264 1/20 0.90
MAP3K13 O43283 1/20 0.90
DAPK3 O43293 1/20 0.90
MAP3K7 O43318 1/20 0.90
RIPK2 O43353 1/20 0.90
JAK2 O60674 1/20 0.90

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
SCHEMBL29693444 0.94 MET (1.00) METKDRFLT3AXLRET
SCHEMBL372153 0.94 MET (1.00) METKDRFLT3AXLRET
Foretinib SCHEMBL371804 0.94 MET (1.00) METKDRFLT3AXLRET
Foretinib SCHEMBL29358674 0.94 MET (1.00) METKDRFLT3AXLRET
Foretinib SCHEMBL30498609 0.94 MET (1.00) METKDRFLT3AXLRET
Foretinib SCHEMBL2452880 0.94 MET (0.99) METKDRFLT3AXLRET
Foretinib SCHEMBL958129 0.92 MET (0.95) METKDRFLT3AXLRET
SCHEMBL16069954 0.92 MET (0.84) METKDRFLT3AXLRET
SCHEMBL15144376 0.90 MET (0.82) METKDRFLT3AXLRET
SCHEMBL15003127 0.90 MET (0.91) METKDRFLT3AXLRET

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
WO-2014145693-A1 METABOLITES OF N-[3-FLUORO-4-({ 6-(METHYLOXY)-7-[(3-MORPHOLIN-4-YLPROPYL)OXY]QUINOLIN-4-YL}OXY)PHENYL]-N'-(4-FLUOROPHENYL)CYCLOPROPANE-1,1-DICARBOXAMIDE EXELIXIS, INC. (US) 2014-09-18 WO disclosed