SCHEMBL21252374

SCHEMBL21252374

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

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 3/20 0.35
▸ PDE4B Q07343 3/20 0.33
▸ PDE4A P27815 2/20 0.33
▸ PDE4C Q08493 2/20 0.33
▸ PDE4D Q08499 2/20 0.33
▸ PDE11A Q9HCR9 2/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ TTK P33981 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FGFR4 P22455 3/20 0.31
▸ FGFR1 P11362 1/20 0.31
▸ FGFR2 P21802 1/20 0.31

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
SCHEMBL21240142 0.95 PDE10A (0.35) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL29577848 0.95 PDE10A (0.35) PDE10APDE4BPDE4APDE4CPDE4D
SCHEMBL20331785 0.91 TTK (0.35) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL20331101 0.89 MEN1 (0.36) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL20331786 0.89 TTK (0.33) TTK
SCHEMBL21252146 0.87 TTK (0.37) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL20331966 0.86 TTK (0.37) TTK
SCHEMBL24488203 0.85 PTPN11 (0.39) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21240454 0.85 TTK (0.35) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL30045226 0.85 TTK (0.35) PDE4BPDE4APDE4CPDE4DPDE11A

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-3524603-A1 FGFR4 INHIBITOR, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF Abbisko Therapeutics Co., Ltd. (CN) 2019-08-14 — — EP disclosed
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