SCHEMBL3352695

SCHEMBL3352695

COc1cc(-c2nc(Nc3cc(C(=O)NC4CC4)ccc3C)sc2C(=O)NCc2ccccc2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.47
MCHR1 Q99705 2/20 0.43
MAPK11 Q15759 4/20 0.42
ROCK2 O75116 2/20 0.42
ROCK1 Q13464 2/20 0.42
TP53 P04637 5/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 2/20 0.40
LMNA P02545 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
KDR P35968 1/20 0.40

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
SCHEMBL3345762 0.94 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3352426 0.92 MAPK14 (0.49) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3347486 0.92 MAPT (0.45) MAPK14MCHR1MAPK11ROCK2ROCK1
SCHEMBL3318484 0.92 MAPK14 (0.44) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3345794 0.90 MAPK14 (0.53) MAPK14MAPK11TP53MAPT
SCHEMBL3317134 0.89 MAPK14 (0.49) MAPK14MAPK11TP53MAPTPOLB
SCHEMBL3345530 0.89 MAPK14 (0.42) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3349382 0.88 MAPK14 (0.55) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL27635999 0.88 MAPK14 (0.50) MAPK14MAPK11ROCK2ROCK1TP53
SCHEMBL3594171 0.88 MAPK14 (0.47) MAPK14MAPK11ROCK2ROCK1TP53

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
US-7652044-B2 P-38 inhibitors NOVARTIS A.G. (CH) 2010-01-26 US claimed