SCHEMBL6622178

SCHEMBL6622178

Cc1nnc(-c2ccc(C)c(-c3ccc(C(=O)NCc4ccccn4)cc3)c2)o1

nearest known ligand 0.75

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.75
MAPK11 Q15759 2/20 0.64
NPC1 O15118 1/20 0.56
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
RAB9A P51151 1/20 0.56
KDM4E B2RXH2 1/20 0.55
MEN1 O00255 1/20 0.50
KMT2A Q03164 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
SCHEMBL4863522 0.86 MAPK14 (1.00) MAPK14MAPK11
SCHEMBL4860372 0.85 MAPK14 (0.79) MAPK14MAPK11
SCHEMBL6605403 0.83 MAPK14 (0.67) MAPK14MAPK11
SCHEMBL6601878 0.83 MAPK14 (0.73) MAPK14MAPK11
SCHEMBL6605924 0.83 MAPK14 (0.83) MAPK14MAPK11
SCHEMBL4855057 0.82 MAPK14 (0.75) MAPK14MAPK11
SCHEMBL4855124 0.82 MAPK14 (0.85) MAPK14MAPK11
SCHEMBL4862229 0.82 MAPK14 (0.80) MAPK14MAPK11
SCHEMBL4863092 0.82 MAPK14 (0.74) MAPK14MAPK11
SCHEMBL6604940 0.81 MAPK14 (0.73) MAPK14MAPK11POLB

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