SCHEMBL7360193

SCHEMBL7360193

CS(=O)(=O)c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2CCCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.55
MAPK13 O15264 15/20 0.55
MAPK12 P53778 15/20 0.55
MAPK11 Q15759 15/20 0.55
PTGS2 P35354 1/20 0.43

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
SCHEMBL4553711 1.00 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL7420770 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4553843 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7355719 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
Morpholine SCHEMBL4553714 0.83 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL5639854 0.81 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11PTGS2
SCHEMBL6171037 0.80 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5640788 0.79 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5639664 0.74 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11
Morpholine SCHEMBL7419803 0.74 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11

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
WO-1995003297-A1 IMIDAZOLES FOR TREATING CYTOKINE MEDIATED DISEASE SMITHKLINE BEECHAM CORPORATION (US) 1995-02-02 WO disclosed