SCHEMBL6280438

SCHEMBL6280438

Cc1cc(C)cc(-c2nc(-c3ccc(CS(=O)(=O)Cc4ccc(-c5nc(-c6cc(C)cc(C)c6)c(-c6ccncc6)s5)cc4)cc3)sc2-c2ccncc2)c1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.59
PTGS2 P35354 4/20 0.52
ADORA3 P0DMS8 4/20 0.44
ADORA1 P30542 2/20 0.43
CHRM5 P08912 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
IDO1 P14902 3/20 0.42
TDO2 P48775 3/20 0.42
CDC7 O00311 1/20 0.39
DBF4 Q9UBU7 1/20 0.39

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
SCHEMBL6280814 0.87 MAPK14 (0.55) MAPK14PTGS2IDO1TDO2CDC7
SCHEMBL6504016 0.84 MAPK14 (0.81) MAPK14PTGS2ADORA3
SCHEMBL6283249 0.84 MAPK14 (0.54) MAPK14PTGS2ADORA3ADORA1CHRM5
SCHEMBL6282411 0.83 PTGS2 (0.57) MAPK14PTGS2IDO1TDO2CDC7
SCHEMBL6279375 0.83 PTGS2 (0.54) MAPK14PTGS2IDO1TDO2CDC7
SCHEMBL6283253 0.83 MAPK14 (0.53) MAPK14PTGS2ADORA3ADORA1CHRM5
SCHEMBL6280820 0.83 PTGS2 (0.70) MAPK14PTGS2IDO1TDO2
SCHEMBL6285570 0.81 MAPK14 (0.54) MAPK14PTGS2ADORA3ADORA1CHRM5
SCHEMBL6504993 0.79 MAPK14 (0.54) MAPK14PTGS2ADORA3ADORA1CHRM5
SCHEMBL6605134 0.79 MAPK14 (0.53) MAPK14PTGS2ADORA3ADORA1CHRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP claimed
US-6962933-B1 Method for inhibiting p38 MAP kinase or TNF-α production using a 1,3-thiazole TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-08 US disclosed
EP-1205478-A1 p38MAP KINASE INHIBITORS Takeda Chemical Industries, Ltd. (JP) 2002-05-15 EP disclosed