SCHEMBL3814366

SCHEMBL3814366

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

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.44
MAPK11 Q15759 7/20 0.44
MCHR1 Q99705 2/20 0.40
ADRA2A P08913 1/20 0.40
FASN P49327 2/20 0.39
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
MAPT P10636 2/20 0.38
TP53 P04637 1/20 0.38
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
RORC P51449 1/20 0.37

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 0.92 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3824492 0.91 MAPK14 (0.46) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3817820 0.90 MAPK14 (0.46) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3813707 0.89 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3821065 0.89 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3818327 0.89 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3816240 0.89 MAPK14 (0.51) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3818178 0.89 MAPK14 (0.44) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3348893 0.89 MAPK14 (0.46) MAPK14MAPK11MCHR1ADRA2AFASN
SCHEMBL3818315 0.88 MAPK14 (0.41) MAPK14MAPK11ROCK2ROCK1MAPT

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