SCHEMBL371999

SCHEMBL371999

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(Oc6ncnc7cc(OCc8ccccc8)c(OC)cc67)c(F)c5)CC4)cc3F)ncnc2cc1OCc1ccccc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 13/20 0.78
KDR P35968 5/20 0.61
AXL P30530 4/20 0.61
EGFR P00533 5/20 0.58
FLT3 P36888 3/20 0.55
MERTK Q12866 2/20 0.55
HDAC2 Q92769 2/20 0.55
HDAC8 Q9BY41 2/20 0.55
HDAC6 Q9UBN7 2/20 0.55
KIT P10721 2/20 0.55
RET P07949 1/20 0.55
PDGFRB P09619 1/20 0.55
HDAC10 Q969S8 1/20 0.54
HDAC11 Q96DB2 1/20 0.54
AURKA O14965 1/20 0.52
STK10 O94804 1/20 0.52
NTRK1 P04629 1/20 0.52
CDK11B P21127 1/20 0.52
BLK P51451 1/20 0.52
TYRO3 Q06418 1/20 0.52

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
SCHEMBL29693564 0.97 MET (0.84) METKDRAXLEGFRFLT3
SCHEMBL4403397 0.97 MET (0.84) METKDRAXLEGFRFLT3
SCHEMBL17867476 0.89 MET (0.77) METKDRAXLEGFRFLT3
SCHEMBL15279409 0.89 MET (0.72) METKDRAXLEGFRFLT3
SCHEMBL23430677 0.89 MET (0.71) METKDRAXLEGFRFLT3
SCHEMBL371651 0.88 MET (1.00) METKDRAXLEGFRFLT3
SCHEMBL29693453 0.88 MET (1.00) METKDRAXLEGFRFLT3
SCHEMBL19373165 0.87 MET (0.88) METKDRAXLEGFRFLT3
SCHEMBL17867475 0.87 MET (0.73) METKDRAXLEGFRFLT3
SCHEMBL4401192 0.86 MET (0.83) METKDRAXLEGFRFLT3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2409704-A2 c-Met modulators and methods of use Exelixis Inc. (US) 2012-01-25 EP disclosed
EP-1673085-B1 C-MET MODULATORS AND METHODS OF USE EXELIXIS INC (US) 2011-11-09 EP disclosed
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
EP-2213661-B1 c-Met Modulators and Methods of Use EXELIXIS INC (US) 2011-07-20 EP disclosed