SCHEMBL4413214

SCHEMBL4413214

COc1cc2c(Oc3ccc(N(Cc4ccc(C(F)(F)F)cc4)C(=O)C(N)=O)cc3F)ccnc2cc1OC(C)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 19/20 0.47
▸ KDR P35968 3/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ KIT P10721 1/20 0.42
▸ MST1R Q04912 1/20 0.42

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
SCHEMBL20525860 0.87 MET (0.46) METKDRFLT3KIT
SCHEMBL2328224 0.87 MET (0.43) METKDRFLT3
SCHEMBL407663 0.86 MET (0.46) METKDRMST1R
SCHEMBL2330038 0.84 MET (0.45) METKDR
SCHEMBL3836125 0.83 MET (0.50) METFLT3
SCHEMBL3835125 0.83 MET (0.49) METKDRFLT3KITMST1R
SCHEMBL3854982 0.83 MET (0.49) METKDRFLT3KITMST1R
SCHEMBL4413202 0.83 MET (0.52) METKDRFLT3KITMST1R
SCHEMBL3832694 0.82 MET (0.53) METKDRFLT3
SCHEMBL3835182 0.82 MET (0.51) METKDRFLT3

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
US-7579473-B2 N-(4-{[7-{[3-(diethylamino)propyl] oxy}-6-(methyloxy) quinazolin-4-yl]oxy}-3- fluorophenyl)-N'-(4- fluorophenyl) cyclopropane-1,1-dicarboxamide; for modulating protein kinase enzymatic activity for modulating cell activities such as proliferation, differentiation, programmed cell death EXELIXIS, INC. (US) 2009-08-25 — — US disclosed
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