SCHEMBL20331101

SCHEMBL20331101

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

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ NOS1 P29475 2/20 0.34
▸ PDE4B Q07343 5/20 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
▸ TP53 P04637 1/20 0.33
▸ PDE3B Q13370 1/20 0.33
▸ FGFR4 P22455 3/20 0.33
▸ ALDH1A1 P00352 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ CHRM4 P08173 2/20 0.31
▸ HASPIN Q8TF76 1/20 0.30
▸ SUV39H2 Q9H5I1 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
SCHEMBL21240537 0.94 NOS1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL29578158 0.94 NOS1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL21252148 0.93 MEN1 (0.39) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL20331789 0.92 NOS1 (0.38) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL30045100 0.92 NOS1 (0.38) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL20331796 0.91 NOS1 (0.40) MEN1KMT2ANOS1PDE4BPDE4A
SCHEMBL21252374 0.89 PDE10A (0.35) MEN1KMT2APDE4BPDE4APDE4C
SCHEMBL20331785 0.89 TTK (0.35) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21252146 0.89 TTK (0.37) PDE4BPDE4APDE4CPDE4DPDE11A
SCHEMBL21252147 0.87 MEN1 (0.36) MEN1KMT2ANOS1PDE4BPDE4A

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