SCHEMBL3822336

SCHEMBL3822336

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.46
MAPK11 Q15759 11/20 0.46
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
LCK P06239 1/20 0.41
KIT P10721 1/20 0.41
KDR P35968 1/20 0.41
LMNA P02545 2/20 0.40
POLB P06746 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
MAPK13 O15264 3/20 0.40
MAPK12 P53778 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
PLTP P55058 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
SCHEMBL3817610 0.95 MAPT (0.45) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3819972 0.93 MAPK14 (0.47) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3814382 0.93 MAPK14 (0.47) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3822142 0.93 MAPK14 (0.42) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3820171 0.93 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3818023 0.93 MAPK14 (0.45) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3820489 0.93 MAPK14 (0.49) MAPK14MAPK11MAPTTP53LCK
SCHEMBL3821471 0.92 MAPK14 (0.47) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3823116 0.91 MAPT (0.47) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3817664 0.91 MAPK14 (0.42) MAPK14MAPK11MAPTTP53LCK

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