SCHEMBL14768124

SCHEMBL14768124

CN(c1cccc2c1ccn2-c1ccnc(NC2CCC(C(C)(C)O)CC2)n1)S(C)(=O)=O

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.69
MAPK9 P45984 8/20 0.68
MAPK10 P53779 6/20 0.68

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
SCHEMBL14175848 1.00 MAPK8 (0.69) MAPK8MAPK9MAPK10
SCHEMBL14768284 0.90 MAPK8 (0.67) MAPK8MAPK9MAPK10
SCHEMBL14175751 0.90 MAPK8 (0.67) MAPK8MAPK9MAPK10
SCHEMBL14768382 0.87 MAPK8 (0.73) MAPK8MAPK9MAPK10
SCHEMBL14175904 0.87 MAPK8 (0.73) MAPK8MAPK9MAPK10
SCHEMBL14193558 0.86 MAPK8 (0.56) MAPK8MAPK9MAPK10
SCHEMBL1163167 0.81 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL6862985 0.81 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL5094260 0.81 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL14175852 0.81 MAPK8 (1.00) MAPK8MAPK9MAPK10

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
US-8399462-B2 4-[4-(4-benzyloxy-indol-1-yl)-pyrimidin-2-ylamino]-cyclohexanol; autoimmune, inflammatory, metabolic, neurological diseases as well as cancer and pain ROCHE PALO ALTO LLC (US) 2013-03-19 US disclosed