SCHEMBL18131697

SCHEMBL18131697

COc1cc(OC)c(F)c(C#Cc2cnc(Nc3c(C)cc(Br)cc3[N+](=O)[O-])nc2)c1F

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 8/20 0.40
▸ MAPK1 P28482 3/20 0.34
▸ EGFR P00533 2/20 0.33
▸ FGFR1 P11362 6/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ IDO1 P14902 1/20 0.31
▸ TDO2 P48775 1/20 0.31
▸ FGFR2 P21802 2/20 0.31
▸ FGFR3 P22607 2/20 0.31
▸ RPS6KB2 Q9UBS0 1/20 0.31
▸ PLK1 P53350 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL18131690 0.85 FGFR4 (0.50) FGFR4MAPK1FGFR1CYP3A4CYP2D6
SCHEMBL18131708 0.82 MAPT (0.39) FGFR4MAPK1FGFR1CYP2C9CYP2C19
SCHEMBL18131808 0.80 FGFR4 (0.51) FGFR4EGFRFGFR1CYP2D6ALDH1A1
SCHEMBL23314963 0.80 FGFR4 (0.52) FGFR4MAPK1FGFR1ALDH1A1MAPT
SCHEMBL15413220 0.75 FGFR4 (0.63) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL18131745 0.74 MAPT (0.37) MAPK1CYP3A4CYP2C19ALDH1A1MAPT
SCHEMBL21386604 0.73 FGFR4 (0.37) FGFR4FGFR1FGFR2FGFR3RPS6KB2
SCHEMBL18134023 0.73 FGFR4 (0.51) FGFR4FGFR1CYP3A4CYP2D6CYP2C9
SCHEMBL15413168 0.69 FGFR4 (0.60) FGFR4MAPK1FGFR1CYP3A4CYP2D6
SCHEMBL18134024 0.68 FGFR1 (0.39) FGFR4FGFR1

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
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
WO-2016164703-A1 FGFR4 INHIBITORS EISAI R & D MANAGEMENT CO., LTD. (JP) 2016-10-13 — — WO disclosed
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