SCHEMBL20332233

SCHEMBL20332233

COc1cc(OC)c(Cl)c(-c2cc3cnc(Cl)cc3c(N3CCC(C#N)C3)n2)c1C

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.33
▸ LRRK2 Q5S007 3/20 0.33
▸ GAK O14976 1/20 0.32
▸ FGFR4 P22455 2/20 0.32
▸ PDE10A Q9Y233 5/20 0.31
▸ CHRM4 P08173 2/20 0.31
▸ PDE3B Q13370 2/20 0.31
▸ PDE3A Q14432 2/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31
▸ CYP1A2 P05177 1/20 0.30

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
SCHEMBL21240563 0.95 FGFR4 (0.35) TTKLRRK2GAKFGFR4PDE10A
SCHEMBL21251716 0.86 PDE10A (0.38) FGFR4PDE10APDE3BPDE3AFGFR1
SCHEMBL21252155 0.86 GAK (0.36) TTKLRRK2GAKFGFR4PDE10A
SCHEMBL21252118 0.84 PRKD1 (0.37) GAKFGFR4FGFR1FGFR2
SCHEMBL21251714 0.83 FGFR4 (0.34) FGFR4PDE10ACHRM4FGFR1FGFR2
SCHEMBL20331980 0.83 TTK (0.37) TTKLRRK2GAKCHRM4CYP1A2
SCHEMBL21251851 0.83 SMN1; SMN2 (0.41) FGFR4FGFR1FGFR2
SCHEMBL21320754 0.81 TTK (0.37) TTKFGFR4PDE10APDE3BPDE3A
SCHEMBL29577769 0.81 PDE10A (0.36) TTKLRRK2GAKPDE10APDE3B
SCHEMBL20331744 0.81 PDE10A (0.36) TTKLRRK2GAKPDE10APDE3B

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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