SCHEMBL20331785

SCHEMBL20331785

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

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 1/20 0.35
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ PDE3B Q13370 1/20 0.31
▸ PDE11A Q9HCR9 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ FGFR4 P22455 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
SCHEMBL21240454 0.95 TTK (0.35) TTKPDE4APDE4BPDE4CPDE4D
SCHEMBL30045226 0.95 TTK (0.35) TTKPDE4APDE4BPDE4CPDE4D
SCHEMBL21251942 0.94 TTK (0.37) TTKPDE4APDE4BPDE4CPDE4D
SCHEMBL21252374 0.91 PDE10A (0.35) TTKPDE4APDE4BPDE4CPDE4D
SCHEMBL20331968 0.89 TTK (0.34) TTKPDE4APDE4BPDE4CPDE4D
SCHEMBL30045422 0.89 TTK (0.34) TTKPDE4APDE4BPDE4CPDE4D
SCHEMBL20331101 0.89 MEN1 (0.36) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL20331786 0.89 TTK (0.33) TTK
SCHEMBL21252445 0.88 TTK (0.36) TTKFGFR4
SCHEMBL21252146 0.87 TTK (0.37) TTKPDE4APDE4BPDE4CPDE4D

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