SCHEMBL7216283

SCHEMBL7216283

CSc1nccc(-c2cc(OS(=O)(=O)C(F)(F)F)nnc2-c2cccc(C(F)(F)F)c2)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.44
MAPK13 O15264 9/20 0.44
MAPK12 P53778 9/20 0.44
MAPK11 Q15759 9/20 0.44
MAPK9 P45984 1/20 0.40
KMO O15229 1/20 0.40
PDE4A P27815 3/20 0.39
PDE4C Q08493 3/20 0.39
PDE4D Q08499 3/20 0.39
MAOB P27338 1/20 0.38
MAOA P21397 2/20 0.38
LMNA P02545 1/20 0.37
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37

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
SCHEMBL7222330 0.83 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL6999911 0.81 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215845 0.79 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL11467792 0.75 LMNA (0.58) MAPK14KMOLMNA
SCHEMBL7676136 0.75 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL7215859 0.74 MAPK13 (0.67) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL1384875 0.72 MAPK14 (0.45) MAPK14MAPK13MAPK12MAPK11KMO
SCHEMBL7001627 0.72 MAPK13 (0.50) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2929605 0.71 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL2934339 0.71 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11KMO

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-6602872-B1 Substituted pyridazines having cytokine inhibitory activity MERCK & CO., INC. 2003-08-05 US disclosed