SCHEMBL31067686

SCHEMBL31067686

COc1cc2nccc(Nc3ccc(NC(=O)Nc4cccc(Br)c4)cc3)c2cc1OC

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 6/20 0.76
GAK O14976 2/20 0.76
PDGFRA P16234 8/20 0.74
KDR P35968 13/20 0.72
KIT P10721 2/20 0.72
RAF1 P04049 1/20 0.64
MET P08581 1/20 0.64
PDGFRB P09619 1/20 0.64
SRC P12931 1/20 0.64
FLT1 P17948 1/20 0.64
FLT4 P35916 1/20 0.64

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
SCHEMBL31067626 0.91 PDGFRA (0.81) EGFRGAKPDGFRAKDRKIT
SCHEMBL31067677 0.89 PDGFRA (0.75) EGFRGAKPDGFRAKDRKIT
SCHEMBL31067716 0.89 PDGFRA (0.82) EGFRGAKPDGFRAKDRRAF1
SCHEMBL31067698 0.88 KDR (0.74) EGFRGAKPDGFRAKDR
SCHEMBL31067717 0.88 PDGFRA (0.74) EGFRGAKPDGFRAKDRKIT
SCHEMBL31067739 0.88 PDGFRA (0.74) EGFRGAKPDGFRAKDR
SCHEMBL31031038 0.87 EGFR (1.00) EGFRGAKKDRSRC
SCHEMBL31067682 0.86 PDGFRA (0.74) EGFRGAKPDGFRAKDRKIT
SCHEMBL31067687 0.85 PDGFRA (0.83) EGFRGAKPDGFRAKDRSRC
SCHEMBL31067639 0.85 PDGFRA (1.00) EGFRGAKPDGFRAKDRSRC

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
CN-118530175-A PDGFR inhibitor and preparation method and application thereof 中国药科大学 2024-08-23 CN disclosed