SCHEMBL6604294

SCHEMBL6604294

Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCCCn4ccnc4)cc3)c2)o1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.71
MAPK11 Q15759 2/20 0.59
CYP19A1 P11511 2/20 0.55
NPC1 O15118 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 1/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 1/20 0.53
TSHR P16473 1/20 0.53
NAMPT P43490 1/20 0.53
KDM4E B2RXH2 1/20 0.52
HTT P42858 1/20 0.52

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
SCHEMBL5462174 0.84 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL6604150 0.83 MAPK14 (0.75) MAPK14MAPK11
SCHEMBL6603105 0.82 MAPK14 (0.74) MAPK14MAPK11
SCHEMBL6608046 0.82 MAPK14 (0.74) MAPK14MAPK11
SCHEMBL5461304 0.81 MAPK14 (0.81) MAPK14MAPK11
SCHEMBL5466901 0.80 MAPK14 (0.84) MAPK14MAPK11
SCHEMBL6629040 0.79 MAPK14 (0.63) MAPK14MAPK11
SCHEMBL6605697 0.79 MAPK14 (0.71) MAPK14MAPK11
SCHEMBL4700889 0.78 MAPK14 (0.60) MAPK14CYP19A1NPC1SMN1; SMN2POLB
SCHEMBL5462093 0.78 MAPK14 (0.77) 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