SCHEMBL6831453

SCHEMBL6831453

COc1cc2nccc(Oc3ccc(N)c(F)c3)c2cc1OC.COc1cc2nccc(Oc3ccc(NC(=O)Nc4nc(C(C)(C)C)cs4)c(F)c3)c2cc1OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 14/20 0.63
PDGFRA P16234 14/20 0.63
AXL P30530 5/20 0.63
FGFR2 P21802 2/20 0.63
KIT P10721 2/20 0.63
MET P08581 2/20 0.50
BMPR1B O00238 1/20 0.49
PLK4 O00444 1/20 0.49
AURKA O14965 1/20 0.49
GAK O14976 1/20 0.49
EPHB6 O15197 1/20 0.49
RIPK2 O43353 1/20 0.49
STK10 O94804 1/20 0.49
ABL1 P00519 1/20 0.49
EGFR P00533 1/20 0.49
LCK P06239 1/20 0.49
FYN P06241 1/20 0.49
CSF1R P07333 1/20 0.49
YES1 P07947 1/20 0.49
LYN P07948 1/20 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 0.95 KDR (0.69) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4668929 0.86 KDR (0.64) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4669693 0.85 KDR (0.73) KDRPDGFRAAXLFGFR2KIT
Hydrochloric Acid SCHEMBL4668966 0.84 KDR (0.71) KDRPDGFRAAXLFGFR2KIT
SCHEMBL1892120 0.81 KDR (0.76) KDRPDGFRAAXLFGFR2KIT
SCHEMBL4669930 0.80 KDR (0.70) KDRPDGFRAAXLFGFR2KIT
Hydrochloric Acid SCHEMBL4670112 0.80 KDR (0.75) KDRPDGFRAAXLFGFR2KIT
SCHEMBL6831452 0.80 AXL (0.57) KDRPDGFRAAXLFGFR2KIT
SCHEMBL1894464 0.80 KDR (0.66) KDRPDGFRAAXLFGFR2KIT
SCHEMBL25779633 0.80 KDR (0.83) 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
EP-1382604-A1 QUINOLINE DERIVATIVE HAVING AZOLYL GROUP AND QUINAZOLINE DERIVATIVE KIRIN BEER KABUSHIKI KAISHA (JP) 2004-01-21 EP disclosed