SCHEMBL28979418

SCHEMBL28979418

COCCOc1cc2ncnc(Oc3ccc(C(=O)C(=O)Nc4ccc(F)cc4)c(F)c3)c2cc1OCCOC

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.57
RAF1 P04049 7/20 0.57
MET P08581 2/20 0.56
KDR P35968 7/20 0.56
FLT1 P17948 1/20 0.56
FLT4 P35916 1/20 0.56
KDM1A O60341 1/20 0.53
PDGFRA P16234 1/20 0.50

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
SCHEMBL30448879 1.00 BRAF (0.57) BRAFRAF1METKDRFLT1
SCHEMBL28979440 0.90 BRAF (0.56) BRAFRAF1METKDRFLT1
SCHEMBL30448475 0.90 BRAF (0.56) BRAFRAF1METKDRFLT1
SCHEMBL28979423 0.87 BRAF (0.62) BRAFRAF1KDRFLT1FLT4
SCHEMBL30447776 0.87 BRAF (0.62) BRAFRAF1KDRFLT1FLT4
SCHEMBL30448179 0.86 KDR (0.59) BRAFRAF1METKDRFLT1
SCHEMBL30447779 0.86 KDR (0.68) BRAFRAF1METKDRPDGFRA
SCHEMBL28473960 0.86 KDM1A (0.60) BRAFRAF1METKDRFLT1
SCHEMBL30448881 0.86 KDM1A (0.60) BRAFRAF1METKDRFLT1
SCHEMBL30448376 0.82 KDM1A (0.56) BRAFRAF1METKDRFLT1

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