SCHEMBL8554250

SCHEMBL8554250

COc1cc2nccc(Oc3ccc(N(C(N)=O)c4cccc([N+](=O)[O-])c4)cc3)c2cc1OC

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 12/20 0.64
KDR P35968 11/20 0.64
AURKA O14965 1/20 0.52
ABL1 P00519 1/20 0.52
LCK P06239 1/20 0.52
LYN P07948 1/20 0.52
MET P08581 1/20 0.52
TEK Q02763 1/20 0.52
AURKB Q96GD4 1/20 0.52
PDGFRB P09619 1/20 0.49
KIT P10721 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
SCHEMBL8556030 0.92 PDGFRA (0.69) PDGFRAKDRAURKAABL1LCK
SCHEMBL8556378 0.87 PDGFRA (0.61) PDGFRAKDRAURKAABL1LCK
SCHEMBL8556873 0.85 PDGFRA (0.62) PDGFRAKDRAURKAABL1LCK
SCHEMBL8554460 0.85 KDR (0.62) PDGFRAKDRAURKAABL1LCK
SCHEMBL8552405 0.85 KDR (0.54) PDGFRAKDRAURKAABL1LCK
SCHEMBL8552489 0.85 PDGFRA (0.65) PDGFRAKDRAURKAABL1LCK
SCHEMBL8552653 0.84 PDGFRA (0.61) PDGFRAKDRAURKAABL1LCK
SCHEMBL8554907 0.83 KDR (0.55) PDGFRAKDRAURKAABL1LCK
SCHEMBL8551461 0.83 PDGFRA (0.59) PDGFRAKDRAURKAABL1LCK
SCHEMBL8552659 0.82 PDGFRA (0.67) PDGFRAKDRAURKAABL1LCK

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-0860433-A1 QUINOLINE DERIVATIVES AND QUINAZOLINE DERIVATIVES INHIBITING AUTOPHOSPHORYLATION OF GROWTH FACTOR RECEPTOR ORIGINATING IN PLATELET AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 1998-08-26 EP disclosed