SCHEMBL6831452

SCHEMBL6831452

COc1cc2nccc(Oc3ccc(NC(=O)N(Nc4ccc(Oc5ccnc6cc(OC)c(OC)cc56)cc4F)c4nc(C(C)(C)C)cs4)c(F)c3)c2cc1OC

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AXL P30530 9/20 0.57
KDR P35968 8/20 0.57
PDGFRA P16234 6/20 0.57
FGFR2 P21802 2/20 0.57
KIT P10721 1/20 0.57
MET P08581 3/20 0.49

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
SCHEMBL4669865 0.83 KDR (0.69) AXLKDRPDGFRAFGFR2KIT
SCHEMBL6831453 0.80 KDR (0.63) AXLKDRPDGFRAFGFR2KIT
SCHEMBL5638280 0.75 KDR (0.78) AXLKDRPDGFRAFGFR2KIT
SCHEMBL25779633 0.75 KDR (0.83) AXLKDRPDGFRAFGFR2KIT
SCHEMBL4669693 0.74 KDR (0.73) AXLKDRPDGFRAFGFR2KIT
SCHEMBL4668929 0.74 KDR (0.64) AXLKDRPDGFRAFGFR2KIT
SCHEMBL29366679 0.74 KDR (1.00) AXLKDRPDGFRAFGFR2KIT
SCHEMBL29918224 0.74 KDR (1.00) AXLKDRPDGFRAFGFR2KIT
SCHEMBL1249562 0.74 KDR (1.00) AXLKDRPDGFRAFGFR2KIT
Hydrochloric Acid SCHEMBL4668966 0.74 KDR (0.71) AXLKDRPDGFRAFGFR2KIT

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-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed