SCHEMBL3823964

SCHEMBL3823964

Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2cccc(OCCCN)c2)c(OC(=O)NCc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.41
MAPK11 Q15759 7/20 0.41
ROCK2 O75116 1/20 0.37
ROCK1 Q13464 1/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 1/20 0.37
RIPK2 O43353 1/20 0.36
SUCNR1 Q9BXA5 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL3816739 0.97 MAPK14 (0.42) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3815544 0.92 MAPK14 (0.43) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3816240 0.91 MAPK14 (0.51) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3349897 0.90 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3813707 0.90 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3821471 0.90 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3818327 0.88 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3821065 0.88 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3824492 0.88 MAPK14 (0.46) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3812258 0.88 ROCK2 (0.44) MAPK14MAPK11ROCK2ROCK1MAPK13

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
EP-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed