SCHEMBL20525847

SCHEMBL20525847

COc1cc2c(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)ccnc2cc1OCCCN1CCN(C(=O)O)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 18/20 0.83
KDR P35968 7/20 0.83
AXL P30530 5/20 0.83
KIT P10721 4/20 0.83
FLT3 P36888 4/20 0.83
PDGFRB P09619 3/20 0.83
RET P07949 2/20 0.83
MERTK Q12866 2/20 0.83
PDGFRA P16234 2/20 0.83
FLT1 P17948 2/20 0.83
MST1R Q04912 2/20 0.83
PLK4 O00444 1/20 0.83
STK25 O00506 1/20 0.83
CIT O14578 1/20 0.83
AURKA O14965 1/20 0.83
CHUK O15111 1/20 0.83
MUSK O15146 1/20 0.83
EPHB6 O15197 1/20 0.83
MAPK13 O15264 1/20 0.83
MAP3K13 O43283 1/20 0.83

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
SCHEMBL371891 0.94 MET (0.83) METKDRAXLKITFLT3
SCHEMBL371758 0.94 MET (0.87) METKDRAXLKITFLT3
SCHEMBL29693418 0.94 MET (0.87) METKDRAXLKITFLT3
SCHEMBL29693430 0.92 MET (0.87) METKDRAXLKITFLT3
SCHEMBL372124 0.92 MET (0.87) METKDRAXLKITFLT3
SCHEMBL371685 0.91 MET (0.79) METKDRAXLKITFLT3
SCHEMBL3832582 0.91 MET (0.70) METKDRAXLKITFLT3
SCHEMBL371623 0.91 MET (0.82) METKDRAXLKITFLT3
SCHEMBL29693404 0.91 MET (0.82) METKDRAXLKITFLT3
SCHEMBL371851 0.91 MET (0.85) METKDRAXLKITFLT3

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
EP-2101759-B1 METHODS OF USING MEK INHIBITORS EXELIXIS INC (US) 2018-10-10 EP claimed