SCHEMBL30447779

SCHEMBL30447779

COc1ccc(NC(=O)C(=O)c2ccc(Oc3ncnc4cc(OC)c(OC)cc34)cc2F)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDR P35968 17/20 0.68
PDGFRA P16234 1/20 0.68
CSF1R P07333 1/20 0.61
MET P08581 1/20 0.59
EGFR P00533 1/20 0.58
BRAF P15056 3/20 0.57
RAF1 P04049 1/20 0.57

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
SCHEMBL30447715 0.90 KDR (0.71) KDRPDGFRACSF1RMETEGFR
SCHEMBL28475724 0.86 BRAF (0.70) KDREGFRBRAFRAF1
SCHEMBL30448879 0.86 BRAF (0.57) KDRPDGFRAMETBRAFRAF1
SCHEMBL28979418 0.86 BRAF (0.57) KDRPDGFRAMETBRAFRAF1
SCHEMBL30448158 0.86 MET (0.65) KDRPDGFRACSF1RMETBRAF
SCHEMBL30448257 0.85 KDR (0.78) KDRPDGFRACSF1RMETBRAF
SCHEMBL28474019 0.85 KDR (0.65) KDRPDGFRACSF1RMETEGFR
SCHEMBL30447669 0.85 KDR (0.65) KDRPDGFRACSF1RMETEGFR
SCHEMBL28900930 0.84 KDR (0.69) KDRPDGFRACSF1RMETEGFR
SCHEMBL30448368 0.83 KDR (0.69) KDRPDGFRACSF1RMETBRAF

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-111825605-B Aryl ketone amide compound and preparation method and application thereof 中国科学院上海药物研究所 2023-03-31 CN disclosed