SCHEMBL3820489

SCHEMBL3820489

COc1ccc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2OC(=O)NCc2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.49
MAPK11 Q15759 3/20 0.49
TP53 P04637 5/20 0.47
KLK7 P49862 1/20 0.41
ALDH1A1 P00352 1/20 0.41
DRD4 P21917 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
MAPT P10636 2/20 0.40
LCK P06239 1/20 0.40
KIT P10721 1/20 0.40
KDR P35968 1/20 0.40
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 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 0.93 MAPT (0.45) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3816240 0.93 MAPK14 (0.51) MAPK14MAPK11TP53ALDH1A1DRD4
SCHEMBL3823116 0.93 MAPT (0.47) MAPK14MAPK11TP53MAPTLMNA
SCHEMBL3822336 0.93 MAPK14 (0.46) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3822142 0.92 MAPK14 (0.42) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3819972 0.92 MAPK14 (0.47) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3814382 0.92 MAPK14 (0.47) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3820171 0.92 MAPK14 (0.49) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3822817 0.92 MAPT (0.41) MAPK14MAPK11TP53MAPTLCK
SCHEMBL3818464 0.91 MAPK14 (0.43) MAPK14MAPK11TP53MAPTLMNA

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