SCHEMBL28759795

SCHEMBL28759795

COCCOc1cc2ncnc(Oc3ccc(C(F)(F)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)c2cc1OCCOC

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.65
RAF1 P04049 10/20 0.65
KDR P35968 7/20 0.57
FLT1 P17948 1/20 0.57
FLT4 P35916 1/20 0.57
EGFR P00533 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
SCHEMBL29723089 1.00 BRAF (0.65) BRAFRAF1KDRFLT1FLT4
SCHEMBL28759811 0.92 BRAF (0.71) BRAFRAF1KDRFLT1FLT4
SCHEMBL28979423 0.84 BRAF (0.62) BRAFRAF1KDRFLT1FLT4
SCHEMBL30447776 0.84 BRAF (0.62) BRAFRAF1KDRFLT1FLT4
SCHEMBL28759809 0.81 BRAF (0.72) BRAFRAF1KDRFLT1FLT4
SCHEMBL28759808 0.80 BRAF (0.55) BRAFRAF1KDRFLT1FLT4
SCHEMBL28475724 0.80 BRAF (0.70) BRAFRAF1KDRFLT1FLT4
SCHEMBL28759791 0.80 KDR (0.67) BRAFRAF1KDR
SCHEMBL1011503 0.79 BRAF (1.00) BRAFRAF1
SCHEMBL28900928 0.77 BRAF (0.70) BRAFRAF1KDRFLT1FLT4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114621140-B Aryldifluoroacetamide compound, preparation method and application thereof 中国科学院上海药物研究所 2023-08-11 CN disclosed
CN-114621140-A Aryl difluoro acetamide compound and preparation method and application thereof 中国科学院上海药物研究所 2022-06-14 CN disclosed