SCHEMBL13613013

SCHEMBL13613013

COc1cc2nccc(Oc3ccc(NC(=O)NCC(F)(F)F)c(F)c3)c2cc1OCN

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDR P35968 12/20 0.68
PDGFRA P16234 11/20 0.68
AXL P30530 5/20 0.68
FGFR2 P21802 2/20 0.68
KIT P10721 1/20 0.68
MET P08581 3/20 0.57
AURKA O14965 1/20 0.57
LCK P06239 1/20 0.57
TEK Q02763 1/20 0.57
AURKB Q96GD4 1/20 0.57

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
SCHEMBL13613000 0.90 PDGFRA (0.70) KDRPDGFRAAXLFGFR2KIT
SCHEMBL12501103 0.89 KDR (0.66) KDRPDGFRAAXLFGFR2KIT
SCHEMBL13613020 0.88 PDGFRA (0.68) KDRPDGFRAAXLFGFR2KIT
SCHEMBL1898773 0.88 KDR (0.63) KDRPDGFRAAXLFGFR2KIT
SCHEMBL13613005 0.88 KDR (0.67) KDRPDGFRAAXLFGFR2KIT
SCHEMBL5205758 0.85 PDGFRA (0.76) KDRPDGFRAAXLFGFR2KIT
SCHEMBL5208548 0.85 KDR (0.79) KDRPDGFRAAXLFGFR2KIT
SCHEMBL13613002 0.85 KDR (0.63) KDRPDGFRAAXLFGFR2KIT
SCHEMBL5202303 0.84 PDGFRA (0.73) KDRPDGFRAAXLFGFR2KIT
SCHEMBL5202090 0.83 KDR (0.76) KDRPDGFRAAXLFGFR2KIT

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-7612092-B2 Urea derivatives containing aromatic or heteroaromatic rings; 4-(3-chloro-4-(cyclopropylaminocarbonyl)aminophenoxy)-7-methoxy-6-quinolinecarboxamide; prophylactic or therapeutic agent for a disease for which angiogenesis inhibition is effective EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed