SCHEMBL20331444

SCHEMBL20331444

COc1cc(OC)c(Cl)c(/C(=C/c2cnc(Nc3c(C)cccc3[N+](=O)[O-])cc2C)N(C)C=O)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FGFR1 P11362 12/20 0.38
▸ FGFR4 P22455 17/20 0.37
▸ FGFR2 P21802 4/20 0.36
▸ FGFR3 P22607 4/20 0.36
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CSF1R P07333 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ RPS6KB2 Q9UBS0 1/20 0.33

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
SCHEMBL21252036 0.87 FGFR1 (0.38) FGFR1FGFR4FGFR2FGFR3KMT2A
SCHEMBL21756545 0.77 FGFR4 (0.38) FGFR1FGFR4FGFR2FGFR3KMT2A
SCHEMBL21252062 0.77 FGFR4 (0.32) FGFR1FGFR4
SCHEMBL21756586 0.75 FGFR4 (0.38) FGFR1FGFR4FGFR2FGFR3CYP1A2
SCHEMBL21756604 0.73 FGFR4 (0.37) FGFR1FGFR4FGFR2FGFR3KMT2A
SCHEMBL21386670 0.73 FGFR4 (0.47) FGFR1FGFR4FGFR2FGFR3CYP1A2
SCHEMBL21252009 0.70 FGFR4 (0.45) FGFR1FGFR4FGFR2FGFR3CYP1A2
SCHEMBL24488218 0.69 FGFR1 (0.34) FGFR1FGFR4FGFR2FGFR3
SCHEMBL18131713 0.69 FGFR4 (0.47) FGFR1FGFR4FGFR2FGFR3CYP1A2
SCHEMBL18131714 0.69 FGFR4 (0.47) FGFR1FGFR4FGFR2FGFR3CYP1A2

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-2018113584-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 上海和誉生物医药科技有限公司 2018-06-28 — — WO disclosed
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