SCHEMBL4459212

SCHEMBL4459212

COc1cc2nccc(Oc3ccc(C4(Cc5ccccc5)CNC(=O)N4S(=O)(=O)c4ccc(C)cc4)cc3)c2cc1OC

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MET P08581 7/20 0.46
PDGFRA P16234 4/20 0.45
KDR P35968 2/20 0.45
FGFR2 P21802 2/20 0.44
AXL P30530 1/20 0.43
KIT P10721 2/20 0.43
SRC P12931 2/20 0.42
TGFBR1 P36897 2/20 0.42
SYK P43405 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
SCHEMBL4457349 0.90 MET (0.49) METKDRAXLSRCTGFBR1
SCHEMBL377067 0.76 MET (0.48) METPDGFRAKDRFGFR2AXL
SCHEMBL17370940 0.72 MET (0.48) METPDGFRAKDRFGFR2AXL
SCHEMBL12444104 0.71 PDGFRA (0.76) PDGFRAKDRFGFR2
SCHEMBL5825071 0.70 PDGFRA (0.59) METPDGFRAKDRFGFR2SRC
SCHEMBL4465629 0.69 FGFR2 (0.68) METPDGFRAKDRFGFR2KIT
SCHEMBL31060325 0.68 FGFR2 (0.78) PDGFRAKDRFGFR2KIT
SCHEMBL17117826 0.68 FGFR2 (0.78) PDGFRAKDRFGFR2KIT
SCHEMBL20782678 0.68 PDGFRA (0.65) PDGFRAKDRFGFR2
SCHEMBL5824451 0.68 PDGFRA (0.66) PDGFRAKDRFGFR2

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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed