SCHEMBL1163018

SCHEMBL1163018

CS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3(O)CCCCC3)n2)CC1

nearest known ligand 0.69

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.69
MAPK9 P45984 10/20 0.69
MAPK10 P53779 9/20 0.69

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
SCHEMBL6876597 0.85 MAPK8 (0.84) MAPK8MAPK9MAPK10
SCHEMBL1163081 0.82 MAPK8 (0.77) MAPK8MAPK9MAPK10
SCHEMBL1163009 0.82 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL1200959 0.82 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL6863903 0.80 MAPK8 (0.68) MAPK8MAPK9MAPK10
SCHEMBL1164180 0.79 MAPK8 (0.66) MAPK8MAPK9MAPK10
SCHEMBL6863683 0.76 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL1163195 0.76 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL27955714 0.74 MAPK8 (0.67) MAPK8MAPK9MAPK10
SCHEMBL5094147 0.74 MAPK8 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2464640-A1 INHIBITORS OF JNK F. Hoffmann-La Roche AG (CH) 2012-06-20 EP disclosed
WO-2011018417-A1 INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-02-17 WO disclosed