SCHEMBL18134166

SCHEMBL18134166

CCN1CCN(c2cc(C)c(Nc3ncc(OCc4c(F)c(C)cc(OC)c4F)cn3)c([N+](=O)[O-])c2)CC1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 8/20 0.66
▸ FGFR1 P11362 7/20 0.66
▸ FGFR3 P22607 11/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ KCNH2 Q12809 7/20 0.43
▸ FGFR2 P21802 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL18131810 0.97 FGFR1 (0.70) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL18134167 0.87 FGFR4 (0.67) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL18131707 0.86 FGFR4 (0.56) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL18134162 0.84 FGFR4 (0.71) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL18131825 0.83 FGFR1 (0.58) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL18131808 0.82 FGFR4 (0.51) FGFR4FGFR1FGFR3CYP2D6FGFR2
SCHEMBL18131804 0.79 FGFR4 (1.00) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL21756598 0.77 FGFR1 (0.48) FGFR4FGFR1FGFR3CYP2D6FGFR2
SCHEMBL18134169 0.76 FGFR4 (0.86) FGFR4FGFR1FGFR3CYP2D6CYP3A4
SCHEMBL21386671 0.75 FGFR4 (0.64) FGFR4FGFR1FGFR3CYP2D6CYP3A4

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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