SCHEMBL28759808

SCHEMBL28759808

COc1cc2nc(C)nc(Oc3ccc(C(F)(F)C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)c(F)c3)c2cc1OC

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BRAF P15056 9/20 0.55
RAF1 P04049 8/20 0.55
KDR P35968 11/20 0.51
EGFR P00533 1/20 0.51
FLT1 P17948 1/20 0.46
FLT4 P35916 1/20 0.46
CSF1R P07333 1/20 0.45
RET P07949 1/20 0.45
PDGFRB P09619 1/20 0.45
KIT P10721 1/20 0.45
PDGFRA P16234 1/20 0.45
DDR1 Q08345 1/20 0.45

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
SCHEMBL28471715 0.88 BRAF (0.54) BRAFRAF1KDREGFRFLT1
SCHEMBL28759811 0.88 BRAF (0.71) BRAFRAF1KDREGFRFLT1
SCHEMBL28476798 0.85 BRAF (0.54) BRAFRAF1KDREGFRFLT1
SCHEMBL28759791 0.84 KDR (0.67) BRAFRAF1KDRCSF1RRET
SCHEMBL28759795 0.80 BRAF (0.65) BRAFRAF1KDREGFRFLT1
SCHEMBL29723089 0.80 BRAF (0.65) BRAFRAF1KDREGFRFLT1
SCHEMBL28759809 0.77 BRAF (0.72) BRAFRAF1KDREGFRFLT1
SCHEMBL28475724 0.76 BRAF (0.70) BRAFRAF1KDREGFRFLT1
SCHEMBL29722894 0.76 KDR (0.61) KDRFLT1CSF1RRETPDGFRB
SCHEMBL28759805 0.76 KDR (0.61) KDRFLT1CSF1RRETPDGFRB

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