SCHEMBL6603690

SCHEMBL6603690

Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCCc4cccs4)cc3)c2)o1

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.70
MAPK11 Q15759 2/20 0.63
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
TAAR1 Q96RJ0 1/20 0.51
MAP2K1 Q02750 1/20 0.50

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
SCHEMBL6601878 0.90 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL5462174 0.83 MAPK14 (1.00) MAPK14MAPK11MAP2K1
SCHEMBL5462093 0.81 MAPK14 (0.77) MAPK14MAPK11MAP2K1
SCHEMBL4872468 0.80 MAPK14 (0.82) MAPK14MAPK11RAB9AMAP2K1
SCHEMBL5466901 0.79 MAPK14 (0.84) MAPK14MAPK11
SCHEMBL4863522 0.79 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL5456085 0.79 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL4864346 0.78 MAPK14 (0.64) MAPK14MAPK11
SCHEMBL4860372 0.78 MAPK14 (0.79) MAPK14MAPK11
SCHEMBL6605924 0.78 MAPK14 (0.83) MAPK14MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1436269-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2004-07-14 EP disclosed
WO-2003033482-A1 OXADIAZOLYL-BIPHENYLCARBOXAMIDES AND THEIR USE AS P38 KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2003-04-24 WO disclosed