SCHEMBL4413274

SCHEMBL4413274

COc1cc2nccc(Oc3ncc(NC(=O)Cc4ccccc4C(F)(F)F)cc3Cl)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 3/20 0.61
PDGFRB P09619 3/20 0.61
PDGFRA P16234 3/20 0.61
RET P07949 1/20 0.61
KIT P10721 1/20 0.61
DDR1 Q08345 1/20 0.61
MET P08581 6/20 0.51
AXL P30530 6/20 0.50
MERTK Q12866 1/20 0.50
KDR P35968 8/20 0.49
FLT3 P36888 2/20 0.49
FLT4 P35916 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
SCHEMBL22104163 0.86 PDGFRA (0.72) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL31324684 0.86 PDGFRA (0.72) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL29693548 0.84 PDGFRB (0.62) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL31324666 0.84 PDGFRB (0.62) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL372681 0.84 PDGFRB (0.62) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL371958 0.83 PDGFRA (0.61) CSF1RPDGFRBPDGFRAKITMET
SCHEMBL378510 0.82 KDR (0.59) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL29693652 0.82 KDR (0.59) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL371670 0.81 MET (0.60) CSF1RPDGFRBPDGFRARETKIT
SCHEMBL371579 0.81 KDR (0.55) CSF1RPDGFRBPDGFRAKITMET

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