SCHEMBL5825976

SCHEMBL5825976

COc1cc2nccc(Oc3ccc(N(CCCCCCN(C)C)C(=O)O)cc3)c2cc1OC

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDGFRA P16234 8/20 0.54
KDR P35968 6/20 0.54
PDGFRB P09619 1/20 0.52
FGFR2 P21802 4/20 0.52
KIT P10721 1/20 0.52
MET P08581 3/20 0.51
FLT3 P36888 1/20 0.50
AURKB Q96GD4 1/20 0.50
HDAC1 Q13547 1/20 0.49
AXL P30530 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
SCHEMBL5825601 0.99 PDGFRA (0.55) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5825874 0.93 PDGFRA (0.57) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5826127 0.92 PDGFRA (0.54) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5825796 0.92 PDGFRA (0.54) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5826008 0.90 PDGFRA (0.56) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5825578 0.88 PDGFRA (0.59) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5826068 0.88 PDGFRA (0.58) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5825624 0.87 PDGFRA (0.58) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5826118 0.87 PDGFRA (0.53) PDGFRAKDRPDGFRBFGFR2KIT
SCHEMBL5825830 0.86 PDGFRA (0.57) PDGFRAKDRPDGFRBFGFR2KIT

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