SCHEMBL5826069

SCHEMBL5826069

COc1cc2nccc(Oc3ccc(N(CCc4cccc(C(F)(F)F)c4)C(=O)O)cc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDR P35968 7/20 0.53
MET P08581 8/20 0.50
AURKA O14965 2/20 0.50
TEK Q02763 2/20 0.50
AURKB Q96GD4 2/20 0.50
AXL P30530 1/20 0.50
PIK3CA P42336 1/20 0.50
MAPK14 Q16539 1/20 0.50
PDGFRA P16234 5/20 0.49
FGFR2 P21802 2/20 0.49
KIT P10721 2/20 0.48
CSF1R P07333 1/20 0.47
RET P07949 1/20 0.47
PDGFRB P09619 1/20 0.47
DDR1 Q08345 1/20 0.47
LCK P06239 1/20 0.47

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
SCHEMBL371654 0.88 PDGFRA (0.59) KDRMETAURKBAXLPDGFRA
SCHEMBL5826100 0.85 MET (0.46) KDRMETAURKATEKAURKB
SCHEMBL371655 0.85 PDGFRA (0.59) KDRMETAURKBAXLPDGFRA
SCHEMBL5825959 0.84 SRC (0.46) KDRMETAURKATEKAURKB
SCHEMBL5826045 0.84 FGFR2 (0.56) KDRMETAURKBPDGFRAFGFR2
SCHEMBL5825624 0.84 PDGFRA (0.58) KDRMETAXLPDGFRAFGFR2
SCHEMBL15519428 0.82 MET (0.53) KDRMETAXL
SCHEMBL371517 0.82 PDGFRA (0.62) KDRMETAXLPDGFRAFGFR2
SCHEMBL5826068 0.81 PDGFRA (0.58) KDRMETAURKBAXLPDGFRA
SCHEMBL5825290 0.80 PDGFRA (0.62) KDRMETAXLPDGFRAKIT

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-7135466-B2 Quinoline and quinazoline derivatives and drugs containing the same KIRIN BEER KABUSHIKI KAISHA (JP) 2006-11-14 US claimed