SCHEMBL4021782

SCHEMBL4021782

CCN(O)C(=O)c1ccc(Cc2c(C(=O)OC)n(-c3ccccc3)c3nc(C)ccc3c2=O)cc1

nearest known ligand 0.76

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 20/20 0.76
MAPK9 P45984 10/20 0.76
MAPK10 P53779 8/20 0.76

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
SCHEMBL848312 0.91 MAPK8 (0.70) MAPK8MAPK9MAPK10
SCHEMBL849585 0.89 MAPK8 (0.83) MAPK8MAPK9MAPK10
SCHEMBL2616521 0.89 MAPK8 (0.82) MAPK8MAPK9MAPK10
SCHEMBL849435 0.88 MAPK8 (0.80) MAPK8MAPK9MAPK10
SCHEMBL849162 0.87 MAPK8 (0.79) MAPK8MAPK9MAPK10
SCHEMBL846796 0.86 MAPK8 (0.78) MAPK8MAPK9MAPK10
SCHEMBL846960 0.85 MAPK8 (0.77) MAPK8MAPK9MAPK10
SCHEMBL846732 0.85 MAPK8 (0.76) MAPK8MAPK9MAPK10
SCHEMBL848748 0.83 MAPK8 (1.00) MAPK8MAPK9MAPK10
SCHEMBL860430 0.82 MAPK8 (0.81) 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
WO-2009015917-A2 DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2009-02-05 WO disclosed