SCHEMBL3817017

SCHEMBL3817017

CCOc1ccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2OC(=O)NCc2ccccc2)cc1F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 0.39
MAPK11 Q15759 7/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.38
POLB P06746 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
KDR P35968 2/20 0.38
SSTR5 P35346 1/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
LCK P06239 1/20 0.36
KIT P10721 1/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3820846 0.93 MAPK14 (0.42) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3821478 0.92 MAPK14 (0.41) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3813364 0.90 MAPK14 (0.41) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3345530 0.90 MAPK14 (0.42) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3823116 0.90 MAPT (0.47) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3814382 0.89 MAPK14 (0.47) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3815544 0.89 MAPK14 (0.43) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3818464 0.88 MAPK14 (0.43) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3821065 0.88 MAPK14 (0.45) MAPK14MAPK11MAPTTP53LMNA
SCHEMBL3817610 0.87 MAPT (0.45) MAPK14MAPK11MAPTTP53LMNA

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