SCHEMBL21386701

SCHEMBL21386701

C=C(CC)NC1CNCC1Nc1ncc(/C=C(\F)c2c(Cl)c(OC)cc(OC)c2Cl)cn1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ FGFR4 P22455 19/20 0.35
▸ FGFR1 P11362 4/20 0.35
▸ FGFR2 P21802 6/20 0.34
▸ CYP2C9 P11712 2/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HCRTR1 O43613 1/20 0.32
▸ CYP2C8 P10632 1/20 0.32
▸ CYP2B6 P20813 1/20 0.32
▸ FGFR3 P22607 1/20 0.32

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
SCHEMBL21756565 0.87 FGFR4 (0.49) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL22840675 0.86 FGFR4 (0.33) FGFR4FGFR1CYP2C9CYP3A4CYP2C19
SCHEMBL22451157 0.76 FGFR4 (0.44) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL21756595 0.76 FGFR4 (0.61) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL21756581 0.76 FGFR4 (0.59) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL21756519 0.76 FGFR4 (0.59) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL21386627 0.75 FGFR4 (0.41) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL22451152 0.75 FGFR4 (0.41) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL23135909 0.74 FGFR4 (0.62) FGFR4FGFR1FGFR2CYP2C9CYP3A4
SCHEMBL21386628 0.74 FGFR4 (0.62) FGFR4FGFR1FGFR2CYP2C9CYP3A4

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-3543227-A1 FGFR4 INHIBITOR AND PREPARATION METHOD AND USE THEREOF Guangdong Zhongsheng Pharmaceutical Co., Ltd (CN) 2019-09-25 — — EP disclosed
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