SCHEMBL18131753

SCHEMBL18131753

COc1cc(OC)c(F)c(COc2cnc(N(C(=O)O)c3c(F)cccc3[N+](=O)[O-])nc2)c1F

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 10/20 0.43
▸ FGFR1 P11362 10/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ FGFR3 P22607 6/20 0.38
▸ FGFR2 P21802 2/20 0.38
▸ KCNH2 Q12809 3/20 0.37
▸ ALKBH1 Q13686 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35

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
SCHEMBL18131754 1.00 FGFR4 (0.43) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18131718 0.89 FGFR4 (0.41) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18131747 0.86 FGFR4 (0.45) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18131702 0.77 FGFR4 (0.55) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18134018 0.75 FGFR4 (0.42) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL21386671 0.72 FGFR4 (0.64) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL18131778 0.68 FGFR4 (0.45) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL15244557 0.66 FGFR4 (0.58) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL22807293 0.65 FGFR1 (0.60) FGFR4FGFR1CYP3A4CYP2C9CYP2C19
SCHEMBL21280305 0.65 FGFR3 (0.50) FGFR4FGFR1CYP3A4CYP2C9CYP2C19

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