SCHEMBL4424145

SCHEMBL4424145

COC(=O)c1c(N(C(N)=O)c2ccc(C)s2)cc(C(C)(C)C)n1C

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
RAF1 P04049 2/20 0.43
ALDH1A1 P00352 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL3249076 0.69 RAF1 (0.67) MAPK14RAF1
SCHEMBL3217612 0.67 MAPK14 (0.52) MAPK14RAF1ALDH1A1GAA
SCHEMBL10308265 0.63 MAPK14 (0.50) MAPK14RAF1ALDH1A1GAA
SCHEMBL3226707 0.60 MAPK14 (1.00) MAPK14RAF1ALDH1A1
SCHEMBL4429666 0.59 RAF1 (0.52) MAPK14RAF1
SCHEMBL4426603 0.56 MAPK14 (0.53) MAPK14RAF1
SCHEMBL425794 0.55 DAO (0.65) ALDH1A1GAA
SCHEMBL11456343 0.54 DAO (0.42) ALDH1A1GAA
SCHEMBL3226636 0.54 MAPK14 (0.40) MAPK14RAF1ALDH1A1
SCHEMBL11193741 0.52 KDM4E (0.49) MAPK14RAF1ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4344960-B2 2009-10-14 JP 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