SCHEMBL22451157

SCHEMBL22451157

COc1cc(OC)c(Cl)c(/C(F)=C/c2cnc(N[C@@H]3COC[C@@H]3C)nc2)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 18/20 0.44
▸ FGFR1 P11362 5/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ FGFR2 P21802 9/20 0.40
▸ CYP2C8 P10632 1/20 0.38
▸ CYP2B6 P20813 1/20 0.38
▸ FGFR3 P22607 1/20 0.38
▸ LRRK2 Q5S007 1/20 0.34

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
SCHEMBL22451152 0.90 FGFR4 (0.41) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21386627 0.90 FGFR4 (0.41) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21756532 0.86 FGFR4 (0.44) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL23135910 0.86 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21386631 0.86 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21386630 0.86 FGFR4 (0.46) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21756533 0.85 FGFR4 (0.44) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21386628 0.85 FGFR4 (0.62) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL23135909 0.85 FGFR4 (0.62) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL21386615 0.85 FGFR4 (0.62) FGFR4FGFR1CYP2C9CYP3A4CYP2C19

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
EP-3712146-A1 SALT FORM AND CRYSTAL FORM OF COMPOUND AS FGFR4 INHIBITOR AND PREPARATION METHOD THEREOF Guangdong Zhongsheng Pharmaceutical Co., Ltd (CN) 2020-09-23 — — EP disclosed
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