SCHEMBL21252148

SCHEMBL21252148

COc1cc(OC)c(C)c(-c2cc3cnc(SC)nc3c(N3CCC3)n2)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NOS1 P29475 2/20 0.37
▸ PDE4B Q07343 4/20 0.36
▸ PDE4A P27815 2/20 0.36
▸ PDE4C Q08493 2/20 0.36
▸ PDE4D Q08499 2/20 0.36
▸ PDE11A Q9HCR9 2/20 0.36
▸ PDE3B Q13370 1/20 0.36
▸ FGFR4 P22455 2/20 0.35
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ TP53 P04637 1/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ TTK P33981 1/20 0.32
▸ GAK O14976 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ ENPP1 P22413 1/20 0.31
▸ NEK2 P51955 2/20 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
SCHEMBL20331101 0.93 MEN1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL21240537 0.88 NOS1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL29578158 0.88 NOS1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL30442682 0.88 NOS1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL21251942 0.88 TTK (0.37) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL20331789 0.86 NOS1 (0.38) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL30045100 0.86 NOS1 (0.38) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL20331796 0.85 NOS1 (0.40) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL20331785 0.82 TTK (0.35) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21252374 0.82 PDE10A (0.35) MEN1KMT2APDE4BPDE4APDE4C

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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