SCHEMBL12443865

SCHEMBL12443865

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)[C@H](C)[C@H]4C)cc3F)ccnc2cc1OCCCN1CCCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.73
KIT P10721 3/20 0.73
KDR P35968 3/20 0.73
FLT3 P36888 3/20 0.73
PDGFRB P09619 2/20 0.73
PDGFRA P16234 2/20 0.73
FLT1 P17948 2/20 0.73
MST1R Q04912 2/20 0.73
AXL P30530 2/20 0.73
PLK4 O00444 1/20 0.73
STK25 O00506 1/20 0.73
CIT O14578 1/20 0.73
AURKA O14965 1/20 0.73
CHUK O15111 1/20 0.73
MUSK O15146 1/20 0.73
EPHB6 O15197 1/20 0.73
MAPK13 O15264 1/20 0.73
MAP3K13 O43283 1/20 0.73
DAPK3 O43293 1/20 0.73
MAP3K7 O43318 1/20 0.73

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
SCHEMBL15580161 1.00 MET (0.73) METKITKDRFLT3PDGFRB
SCHEMBL29693457 0.94 MET (0.73) METKITKDRFLT3PDGFRB
SCHEMBL372005 0.94 MET (0.73) METKITKDRFLT3PDGFRB
SCHEMBL372006 0.94 MET (0.73) METKITKDRFLT3PDGFRB
SCHEMBL29693469 0.93 MET (0.85) METKITKDRFLT3PDGFRB
SCHEMBL372156 0.93 MET (0.85) METKITKDRFLT3PDGFRB
SCHEMBL19373139 0.93 MET (0.85) METKITKDRFLT3PDGFRB
SCHEMBL4405592 0.93 MET (0.85) METKITKDRFLT3PDGFRB
SCHEMBL29693456 0.93 MET (0.85) METKITKDRFLT3PDGFRB
SCHEMBL371942 0.93 MET (0.85) METKITKDRFLT3PDGFRB

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-2210607-B1 N-[3-fluoro-4-({6-(methyloxy)-7-[(3-morpholin-4-ylpropyl)oxy]quinolin-4-yl}oxy)phenyl]-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide for the treatment of cancer EXELIXIS INC (US) 2011-08-17 EP disclosed