SCHEMBL3817625

SCHEMBL3817625

Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2ccc(CCN)cc2)c(OC(=O)NCc2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.41
MAPK11 Q15759 9/20 0.41
MAPK13 O15264 2/20 0.39
MAPK12 P53778 2/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
LCK P06239 1/20 0.39
KIT P10721 1/20 0.39
KDR P35968 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 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
SCHEMBL3819972 0.94 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3822142 0.92 MAPK14 (0.42) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3820171 0.92 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3817610 0.92 MAPT (0.45) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3822336 0.91 MAPK14 (0.46) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3814382 0.91 MAPK14 (0.47) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3820489 0.90 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3818023 0.90 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3818315 0.89 MAPK14 (0.41) MAPK14MAPK11MAPK13MAPK12MAPT
SCHEMBL3813707 0.89 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12MAPT

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