SCHEMBL5216405

SCHEMBL5216405

Cc1nnc(-c2ccc(-c3cc(OC(=O)NC4CC4)ccc3C)cc2)o1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.57
MAP2K1 Q02750 1/20 0.57
MAPK11 Q15759 2/20 0.53
FAAH O00519 1/20 0.48
EPHX2 P34913 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL3072596 0.81 MAPK14 (0.82) MAPK14MAP2K1MAPK11
SCHEMBL5456029 0.79 MAPK14 (0.78) MAPK14MAP2K1MAPK11
SCHEMBL6032004 0.79 MAPK14 (0.59) MAPK14MAP2K1MAPK11
SCHEMBL5220199 0.78 MAPK14 (0.50) MAPK14MAP2K1MAPK11SMN1; SMN2
SCHEMBL5220245 0.77 MAPK14 (0.61) MAPK14MAP2K1MAPK11
SCHEMBL5465001 0.75 MAPK14 (0.72) MAPK14MAP2K1MAPK11
SCHEMBL10089430 0.75 FAAH (0.67) FAAH
SCHEMBL5461337 0.74 MAPK14 (0.71) MAPK14MAP2K1MAPK11
SCHEMBL5221091 0.73 MAPK14 (0.64) MAPK14MAP2K1
SCHEMBL5118009 0.72 MAPK14 (1.00) MAPK14MAP2K1MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1499600-B1 HETEROARYL SUBSTITUTED BIPHENYL DERIVATIVES AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2007-07-25 EP claimed