SCHEMBL20331980

SCHEMBL20331980

COc1cc(OC)c(Cl)c(-c2cc3cnc(SC)nc3c(N3CCC(C#N)C3)n2)c1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 5/20 0.37
▸ GAK O14976 1/20 0.32
▸ CHRM4 P08173 2/20 0.31
▸ LRRK2 Q5S007 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
SCHEMBL29577707 0.95 TTK (0.38) TTKGAKLRRK2
SCHEMBL21240264 0.95 TTK (0.38) TTKGAKLRRK2
SCHEMBL24488200 0.92 TTK (0.37) TTKGAKLRRK2
SCHEMBL21251736 0.87 TTK (0.35) TTK
SCHEMBL20331101 0.84 MEN1 (0.36) CHRM4
SCHEMBL20332233 0.83 TTK (0.33) TTKGAKCHRM4LRRK2CYP1A2
SCHEMBL21252449 0.83 TTK (0.38) TTKGAKLRRK2
SCHEMBL20331786 0.83 TTK (0.33) TTK
SCHEMBL20331108 0.82 HRH4 (0.35) —
SCHEMBL20331783 0.82 F10 (0.33) —

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
Send feedback