SCHEMBL16069974

SCHEMBL16069974

COC(=O)C1(C(=O)Nc2ccc(Oc3ccnc4cc(OCCCN5CCOCC5)c(OC)cc34)c(F)c2)CC1

nearest known ligand 0.88

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 17/20 0.88
FLT3 P36888 4/20 0.88
KDR P35968 3/20 0.88
PLK4 O00444 1/20 0.88
STK25 O00506 1/20 0.88
CIT O14578 1/20 0.88
AURKA O14965 1/20 0.88
CHUK O15111 1/20 0.88
MUSK O15146 1/20 0.88
EPHB6 O15197 1/20 0.88
MAPK13 O15264 1/20 0.88
MAP3K13 O43283 1/20 0.88
DAPK3 O43293 1/20 0.88
MAP3K7 O43318 1/20 0.88
RIPK2 O43353 1/20 0.88
JAK2 O60674 1/20 0.88
ROCK2 O75116 1/20 0.88
PAK3 O75914 1/20 0.88
CDKL5 O76039 1/20 0.88
STK10 O94804 1/20 0.88

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
SCHEMBL16069963 0.95 MET (0.89) METFLT3KDRPLK4STK25
SCHEMBL16070096 0.94 MET (0.88) METFLT3KDRPLK4STK25
Foretinib SCHEMBL371804 0.94 MET (1.00) METFLT3KDRPLK4STK25
Foretinib SCHEMBL29358674 0.94 MET (1.00) METFLT3KDRPLK4STK25
SCHEMBL29693444 0.94 MET (1.00) METFLT3KDRPLK4STK25
Foretinib SCHEMBL30498609 0.94 MET (1.00) METFLT3KDRPLK4STK25
SCHEMBL372153 0.94 MET (1.00) METFLT3KDRPLK4STK25
Foretinib SCHEMBL2452880 0.93 MET (0.99) METFLT3KDRPLK4STK25
SCHEMBL15003127 0.93 MET (0.91) METFLT3KDRPLK4STK25
SCHEMBL19370040 0.93 MET (0.91) METFLT3KDRPLK4STK25

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