SCHEMBL21067798

SCHEMBL21067798

CCOc1nc(NC(=O)Cc2cc(OC)c(Br)cc2OC)cc(N)c1C#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 1.00
MAPK9 P45984 18/20 1.00
MAPK10 P53779 12/20 1.00
MAPK1 P28482 2/20 0.76
PRKD3 O94806 2/20 0.76
DYRK3 O43781 1/20 0.76
PRKD2 Q9BZL6 2/20 0.74
RPS6KB1 P23443 1/20 0.74
CDK2 P24941 1/20 0.74
RPS6KB2 Q9UBS0 1/20 0.74
RPS27 P42677 1/20 0.63
MAP4K4 O95819 1/20 0.60
MAP4K2 Q12851 1/20 0.60
PKN2 Q16513 1/20 0.60
STK17A Q9UEE5 1/20 0.60

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
SCHEMBL1145450 0.92 MAPK8 (0.84) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL1145176 0.87 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL1145456 0.86 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL1146335 0.86 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL1145517 0.86 MAPK8 (0.81) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL12221577 0.85 MAPK8 (0.80) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL1145327 0.85 MAPK8 (0.86) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL157014 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL29405886 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD3
SCHEMBL1145221 0.85 MAPK8 (1.00) MAPK8MAPK9MAPK10MAPK1PRKD3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 US disclosed