SCHEMBL3817820

SCHEMBL3817820

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

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.46
MAPK11 Q15759 10/20 0.46
CTDSP1 Q9GZU7 1/20 0.41
TDP1 Q9NUW8 1/20 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
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HSP90AB1 P08238 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39
RIPK2 O43353 1/20 0.38

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 0.95 MAPK14 (0.47) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3813707 0.93 MAPK14 (0.45) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3820171 0.93 MAPK14 (0.49) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3824492 0.93 MAPK14 (0.46) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3818327 0.92 MAPK14 (0.45) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3821065 0.92 MAPK14 (0.45) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3818178 0.91 MAPK14 (0.44) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3816240 0.91 MAPK14 (0.51) MAPK14MAPK11ROCK2ROCK1MAPT
SCHEMBL3817610 0.90 MAPT (0.45) MAPK14MAPK11CTDSP1TDP1ROCK2
SCHEMBL3814366 0.90 MAPK14 (0.44) MAPK14MAPK11CTDSP1TDP1ROCK2

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