SCHEMBL5825985

SCHEMBL5825985

COc1cc2nccc(Oc3ccc(N(CCCOc4ccc(F)cc4)C(=O)O)cc3)c2cc1OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 11/20 0.61
PDGFRA P16234 10/20 0.61
MET P08581 6/20 0.57
AXL P30530 4/20 0.55
MERTK Q12866 3/20 0.55
KIT P10721 2/20 0.55
AURKA O14965 1/20 0.55
RIPK2 O43353 1/20 0.55
ABCB11 O95342 1/20 0.55
ABL1 P00519 1/20 0.55
EGFR P00533 1/20 0.55
ERBB2 P04626 1/20 0.55
NTRK1 P04629 1/20 0.55
LCK P06239 1/20 0.55
PGR P06401 1/20 0.55
LYN P07948 1/20 0.55
RET P07949 1/20 0.55
CHRM2 P08172 1/20 0.55
HCK P08631 1/20 0.55
ADRA2A P08913 1/20 0.55

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
SCHEMBL5825578 0.93 PDGFRA (0.59) KDRPDGFRAMETAXLKIT
SCHEMBL5826191 0.91 PDGFRA (0.57) KDRPDGFRAMETAXLKIT
SCHEMBL5825683 0.91 KDR (0.61) KDRPDGFRAMETAXLKIT
SCHEMBL5825780 0.90 PDGFRA (0.55) KDRPDGFRAMETAXLKIT
SCHEMBL5825830 0.90 PDGFRA (0.57) KDRPDGFRAMETAXLKIT
SCHEMBL5825775 0.88 PDGFRA (0.57) KDRPDGFRAMETKITEGFR
SCHEMBL5825647 0.87 KDR (0.64) KDRPDGFRAMETAXLMERTK
SCHEMBL5826008 0.87 PDGFRA (0.56) KDRPDGFRAMETAXLKIT
SCHEMBL5825601 0.86 PDGFRA (0.55) KDRPDGFRAMETAXLKIT
SCHEMBL5825746 0.86 PDGFRA (0.54) KDRPDGFRAMETAXLKIT

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