SCHEMBL14768371

SCHEMBL14768371

CN(C1CCC(Nc2nccc(-c3noc4c(OCCCS(C)(=O)=O)cccc34)n2)CC1)S(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 17/20 0.47
MAPK9 P45984 15/20 0.47
MAPK10 P53779 12/20 0.47
MAPK14 Q16539 2/20 0.43
CIT O14578 1/20 0.43
DAPK3 O43293 1/20 0.43
STK16 O75716 1/20 0.43
PDGFRB P09619 1/20 0.43
EIF2AK2 P19525 1/20 0.43
CDK11B P21127 1/20 0.43
MAPK3 P27361 1/20 0.43
MAPK1 P28482 1/20 0.43
MAPK4 P31152 1/20 0.43
TTK P33981 1/20 0.43
MAP2K4 P45985 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CDK7 P50613 1/20 0.43
MAP2K6 P52564 1/20 0.43
DAPK1 P53355 1/20 0.43

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
SCHEMBL14176035 1.00 MAPK8 (0.47) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14176027 0.89 MAPK9 (0.49) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14768126 0.89 MAPK9 (0.49) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14768297 0.82 MAPK8 (0.68) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14176030 0.82 MAPK8 (0.68) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14176034 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14768131 0.81 MAPK8 (0.67) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14768184 0.76 MAPK8 (0.80) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14175842 0.76 MAPK8 (0.80) MAPK8MAPK9MAPK10MAPK14CIT
SCHEMBL14176048 0.74 MAPK9 (0.49) MAPK8MAPK9MAPK10MAPK14CIT

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