SCHEMBL5220199

SCHEMBL5220199

Cc1nnc(-c2ccc(-c3cc(OC(=O)Nc4nncs4)ccc3C)cc2)o1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.50
MAPT P10636 1/20 0.47
MAPK11 Q15759 2/20 0.43
MAP2K1 Q02750 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL5116871 0.83 MAPK14 (0.65) MAPK14MAPK11MAP2K1SMN1; SMN2
SCHEMBL5217308 0.78 MAPK14 (0.48) MAPK14MAPK11MAP2K1NPC1RAB9A
SCHEMBL5216405 0.78 MAPK14 (0.57) MAPK14MAPK11MAP2K1SMN1; SMN2
SCHEMBL5117599 0.75 MAPK14 (0.64) MAPK14MAPK11MAP2K1SMN1; SMN2
SCHEMBL5224749 0.73 MAPK14 (0.53) MAPK14MAPK11MAP2K1
SCHEMBL5221091 0.72 MAPK14 (0.64) MAPK14MAP2K1
SCHEMBL5220245 0.70 MAPK14 (0.61) MAPK14MAPK11MAP2K1
SCHEMBL5114250 0.68 MAPK14 (0.64) MAPK14MAPTMAPK11MAP2K1NPC1
SCHEMBL5122607 0.68 MAPK14 (0.60) MAPK14MAPK11MAP2K1NPC1RAB9A
SCHEMBL5898946 0.67 MAPK14 (0.60) MAPK14RAB9ASMN1; SMN2

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