SCHEMBL31067698

SCHEMBL31067698

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

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 13/20 0.74
PDGFRA P16234 12/20 0.74
EGFR P00533 3/20 0.62
GAK O14976 1/20 0.57
BRAF P15056 1/20 0.56
KDM4E B2RXH2 1/20 0.56
MAPT P10636 1/20 0.56

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
SCHEMBL31067663 0.91 PDGFRA (0.81) KDRPDGFRAEGFRGAK
SCHEMBL31067677 0.89 PDGFRA (0.75) KDRPDGFRAEGFRGAKMAPT
SCHEMBL31067716 0.89 PDGFRA (0.82) KDRPDGFRAEGFRGAKBRAF
SCHEMBL31067717 0.88 PDGFRA (0.74) KDRPDGFRAEGFRGAK
SCHEMBL31067686 0.88 EGFR (0.76) KDRPDGFRAEGFRGAK
SCHEMBL31067739 0.88 PDGFRA (0.74) KDRPDGFRAEGFRGAK
SCHEMBL31067696 0.88 PDGFRA (0.77) KDRPDGFRAEGFRGAKKDM4E
SCHEMBL12484448 0.87 EGFR (0.73) KDRPDGFRAEGFRGAKKDM4E
SCHEMBL31067659 0.86 PDGFRA (0.74) KDRPDGFRAEGFR
SCHEMBL31067687 0.85 PDGFRA (0.83) KDRPDGFRAEGFRGAK

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