SCHEMBL20331786

SCHEMBL20331786

COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N3CCC(C)(C#N)CC3)n2)c1C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 2/20 0.33
▸ PDE9A O76083 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
SCHEMBL20331966 0.95 TTK (0.37) TTKPDE9A
SCHEMBL21240135 0.95 PDE9A (0.34) TTKPDE9A
SCHEMBL29577336 0.95 PDE9A (0.34) TTKPDE9A
SCHEMBL21240326 0.90 TTK (0.37) TTKPDE9A
SCHEMBL29577295 0.90 TTK (0.37) TTKPDE9A
SCHEMBL21252374 0.89 PDE10A (0.35) TTK
SCHEMBL20331785 0.89 TTK (0.35) TTK
SCHEMBL21252442 0.88 TTK (0.34) TTK
SCHEMBL20331101 0.87 MEN1 (0.36) —
SCHEMBL20331761 0.86 TTK (0.41) TTK

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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