SCHEMBL3821065

SCHEMBL3821065

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

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.45
MAPK11 Q15759 7/20 0.45
MAPK13 O15264 3/20 0.41
MAPK12 P53778 3/20 0.41
GABRA5 P31644 2/20 0.41
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39

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
SCHEMBL3821471 0.94 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3814382 0.93 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3824492 0.93 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3817820 0.92 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3813707 0.91 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3821478 0.91 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3813364 0.91 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3818327 0.91 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12ROCK2
SCHEMBL3816240 0.91 MAPK14 (0.51) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3818178 0.91 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12ROCK2

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