SCHEMBL4551528

SCHEMBL4551528

CCC(Oc1cc2nccc(Oc3ccc(NC(=O)C(=O)NCCc4ccccc4)cc3F)c2cc1OC)C1CCCNC1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MET P08581 20/20 0.53
KDR P35968 3/20 0.52
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
AXL P30530 1/20 0.47

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
SCHEMBL371593 0.88 MET (0.56) METKDR
SCHEMBL372019 0.86 MET (0.57) METKDRAXL
SCHEMBL372095 0.84 MET (0.68) METKDR
SCHEMBL371944 0.83 MET (0.59) METKDR
SCHEMBL371680 0.82 MET (0.67) METKDR
SCHEMBL29693566 0.82 MET (0.67) METKDR
SCHEMBL19373118 0.81 MET (0.59) METKDR
SCHEMBL371697 0.81 MET (0.56) METKDRPDGFRBPDGFRAAXL
SCHEMBL409728 0.81 MET (0.57) METKDR
SCHEMBL371811 0.80 MET (0.64) METKDRAXL

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