SCHEMBL5559010

SCHEMBL5559010

Cc1ccccc1C(=O)c1cnc(Nc2cccc(CN)c2)s1.Cc1ccccc1C(=O)c1cnc(Nc2cccc(CNS(=O)(=O)c3cccc(F)c3)c2)s1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
MAPK14 Q16539 2/20 0.43
AURKA O14965 1/20 0.41
AURKB Q96GD4 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
SCHEMBL5388776 0.96 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5559190 0.92 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5555330 0.90 MAPK13 (0.43) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5394271 0.89 MAPK13 (0.49) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554186 0.88 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5560310 0.88 MAPK13 (0.54) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5559458 0.88 MAPK13 (0.47) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5559339 0.86 MAPK13 (0.51) MAPK13MAPK12MAPK11MAPK14AURKA
SCHEMBL5393468 0.86 MAPK13 (0.46) MAPK13MAPK12MAPK11MAPK14
SCHEMBL5554593 0.85 MAPK13 (0.44) MAPK13MAPK12MAPK11MAPK14AURKA

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
EP-1658288-B1 2-AMINO-5-BENZOYLTHIAZOLE NPY ANTAGONISTS HOFFMANN LA ROCHE (CH) 2007-12-05 EP disclosed