SCHEMBL7420770

SCHEMBL7420770

C[S+]([O-])c1ccc(-c2nc(-c3ccncc3)c(-c3ccc(F)cc3)n2CCCN2CCOCC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.55
MAPK13 O15264 17/20 0.55
MAPK12 P53778 17/20 0.55
MAPK11 Q15759 17/20 0.55

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
SCHEMBL4553843 1.00 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4553711 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7360193 0.86 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7355719 0.85 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
Morpholine SCHEMBL4553844 0.83 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5641430 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6171037 0.80 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5640788 0.79 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6930155 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL7354157 0.77 MAPK14 (0.67) 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