SCHEMBL8552800

SCHEMBL8552800

COc1cc2nccc(Oc3ccc(N(C(N)=O)c4ccc(Cl)cc4[N+](=O)[O-])cc3)c2cc1OC

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDR P35968 15/20 0.53
PDGFRA P16234 13/20 0.53
PDGFRB P09619 1/20 0.47
AXL P30530 1/20 0.45
AURKA O14965 1/20 0.45
ABL1 P00519 1/20 0.45
LCK P06239 1/20 0.45
LYN P07948 1/20 0.45
MET P08581 1/20 0.45
TEK Q02763 1/20 0.45
AURKB Q96GD4 1/20 0.45
FGFR2 P21802 1/20 0.45

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
SCHEMBL8552653 0.89 PDGFRA (0.61) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8556882 0.88 KDR (0.59) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8555506 0.87 KDR (0.57) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8552405 0.86 KDR (0.54) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8556030 0.84 PDGFRA (0.69) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8554139 0.82 KDR (0.63) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8554460 0.81 KDR (0.62) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8552489 0.81 PDGFRA (0.65) KDRPDGFRAPDGFRBAXLAURKA
SCHEMBL8554250 0.80 PDGFRA (0.64) KDRPDGFRAPDGFRBAURKAABL1
SCHEMBL8554120 0.80 PDGFRA (0.58) KDRPDGFRAPDGFRBAXLAURKA

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