SCHEMBL20525577

SCHEMBL20525577

COc1cc2nccc(Oc3ccc(NC(=O)C(NCCc4ccccc4)C(C)C)cc3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 13/20 0.66
KDR P35968 9/20 0.66
MET P08581 5/20 0.64
KIT P10721 3/20 0.62
AXL P30530 1/20 0.60
FGFR2 P21802 1/20 0.57
FLT3 P36888 1/20 0.56
AURKB Q96GD4 1/20 0.56

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
SCHEMBL371902 0.92 PDGFRA (0.67) PDGFRAKDRMETKITAXL
SCHEMBL371901 0.92 PDGFRA (0.67) PDGFRAKDRMETKITAXL
SCHEMBL6690550 0.86 MET (0.68) PDGFRAKDRMETKITAXL
SCHEMBL372068 0.86 PDGFRA (0.68) PDGFRAKDRMETKITAXL
SCHEMBL372067 0.86 PDGFRA (0.68) PDGFRAKDRMETKITAXL
SCHEMBL13210880 0.86 PDGFRA (0.68) PDGFRAKDRMETKITAXL
SCHEMBL372059 0.84 PDGFRA (0.64) PDGFRAKDRMETKITAXL
SCHEMBL20525576 0.84 MET (0.46) PDGFRAKDRMETKITAXL
SCHEMBL29693604 0.84 PDGFRA (0.64) PDGFRAKDRMETKITAXL
SCHEMBL371835 0.84 PDGFRA (0.66) PDGFRAKDRMETKITAXL

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