SCHEMBL14604243

SCHEMBL14604243

COC(=O)c1[nH]c2c(-c3ccccc3)c(Cl)ccc2c(=O)c1CNC(=O)c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 19/20 0.51
GRIN1 Q05586 1/20 0.41

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
SCHEMBL14604229 0.94 MAPK8 (0.49) MAPK8GRIN1
SCHEMBL14604008 0.94 MAPK8 (0.48) MAPK8GRIN1
SCHEMBL14604103 0.93 MAPK8 (0.51) MAPK8GRIN1
SCHEMBL14604210 0.92 MAPK8 (0.51) MAPK8GRIN1
SCHEMBL14604194 0.91 MAPK8 (0.51) MAPK8
SCHEMBL14604343 0.91 MAPK8 (0.55) MAPK8
SCHEMBL14604063 0.91 MAPK8 (0.56) MAPK8
SCHEMBL14604335 0.91 MAPK8 (0.54) MAPK8GRIN1
SCHEMBL14604228 0.90 MAPK8 (0.54) MAPK8
SCHEMBL14604039 0.89 MAPK8 (0.51) MAPK8GRIN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2731932-A1 AMINOMETHYL QUINOLONE COMPOUNDS F.HOFFMANN-LA ROCHE AG (CH) 2014-05-21 EP claimed
WO-2013007676-A1 AMINOMETHYL QUINOLONE COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2013-01-17 WO claimed