SCHEMBL6603073

SCHEMBL6603073

Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)N4CCCC4)cc3)c2)o1

nearest known ligand 0.98

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.98
MAPK11 Q15759 1/20 0.59
NPC1 O15118 2/20 0.56
RAB9A P51151 2/20 0.56
TSHR P16473 1/20 0.56
LCK P06239 2/20 0.51
MAP2K1 Q02750 2/20 0.51
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
MAPK1 P28482 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 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
SCHEMBL4856436 0.81 MAPK14 (0.67) MAPK14MAPK11NPC1RAB9AMAP2K1
SCHEMBL5659598 0.81 MAPK14 (0.67) MAPK14MAPK11NPC1RAB9AMAP2K1
SCHEMBL4860601 0.80 MAPK14 (0.65) MAPK14MAPK11LCKMAP2K1
SCHEMBL6605697 0.79 MAPK14 (0.71) MAPK14MAPK11LCK
SCHEMBL12345132 0.79 MAPK14 (0.62) MAPK14NPC1RAB9ATSHRMEN1
SCHEMBL4861254 0.78 MAPK14 (0.67) MAPK14MAPK11LCKMAP2K1
SCHEMBL4860460 0.78 MAPK14 (0.63) MAPK14MAPK11LCKMAP2K1
SCHEMBL4865916 0.78 MAPK14 (0.67) MAPK14MAPK11LCKMAP2K1
SCHEMBL6604150 0.78 MAPK14 (0.75) MAPK14MAPK11LCK
SCHEMBL2906631 0.77 PLA2G7 (0.62) MAPK14NPC1RAB9ATSHRALDH1A1

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