SCHEMBL4429666

SCHEMBL4429666

COC(=O)c1sc(C(C)(C)C)cc1N(C(N)=O)c1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 13/20 0.52
MAPK14 Q16539 12/20 0.52
MAPK13 O15264 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL4426603 0.89 MAPK14 (0.53) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL3247521 0.87 MAPK14 (0.53) RAF1MAPK14
SCHEMBL7624240 0.86 RAF1 (0.40) RAF1MAPK14
SCHEMBL6049749 0.80 RAF1 (0.37) RAF1MAPK14
SCHEMBL6918715 0.73 MAPK14 (0.53) RAF1MAPK14
SCHEMBL7623751 0.70 RAF1 (0.39) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL12514556 0.70 RAF1 (0.44) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL161668 0.70 RAF1 (0.56) RAF1MAPK14MAPK13MAPK12MAPK11
SCHEMBL6049572 0.70 CYP17A1 (0.36) RAF1MAPK14MAPK11
SCHEMBL8147011 0.69 TSHR (0.41) RAF1MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4344960-B2 2009-10-14 JP claimed
EP-1019040-B1 ARYL UREAS FOR THE TREATMENT OF INFLAMMATORY OR IMMUNOMODULATORY DISEASES BAYER AG (US) 2004-09-29 EP claimed
JP-2001526687-A 2001-12-18 JP claimed
EP-1019040-A4 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER AG (US) 2000-10-04 EP claimed
EP-1019040-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS Bayer Corporation (US) 2000-07-19 EP claimed
WO-1998052558-A1 INHIBITION OF p38 KINASE ACTIVITY BY ARYL UREAS BAYER CORPORATION (US) 1998-11-26 WO claimed