SCHEMBL3629669

SCHEMBL3629669

Cn1nc(C(C)(C)C)cc1N(C(N)=O)c1cccc(Sc2ccncc2)c1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.48
MAPT P10636 1/20 0.39
AAK1 Q2M2I8 1/20 0.38
MAPK13 O15264 3/20 0.35
MAPK11 Q15759 3/20 0.35
RAF1 P04049 3/20 0.35
ERBB2 P04626 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
MAPK12 P53778 2/20 0.34
BRAF P15056 2/20 0.33

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
SCHEMBL6049963 0.82 MAPK14 (0.43) MAPK14MAPTAAK1MAPK13MAPK11
SCHEMBL7813599 0.82 MAPK13 (0.48) MAPK14AAK1MAPK13RAF1
SCHEMBL7811987 0.79 MAPK14 (0.58) MAPK14MAPTAAK1MAPK13MAPK11
SCHEMBL3628470 0.77 MAPK14 (0.58) MAPK14MAPTAAK1MAPK13MAPK11
SCHEMBL27842253 0.77 MAPK14 (0.54) MAPK14AAK1MAPK13MAPK11RAF1
SCHEMBL7810441 0.77 MAPK13 (0.54) MAPK14AAK1MAPK13MAPK11RAF1
SCHEMBL7131276 0.77 MAPK14 (0.44) MAPK14MAPK13MAPK11GRNSORT1
SCHEMBL5307032 0.76 GRN (0.36) MAPK14MAPTMAPK13MAPK11KDM4E
SCHEMBL7811988 0.75 MAPK14 (0.49) MAPK14MAPTAAK1MAPK13MAPK11
SCHEMBL3629677 0.72 AAK1 (0.40) MAPK14MAPTAAK1MAPK13MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4403482-B2 2010-01-27 JP claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP claimed
JP-2001526223-A 2001-12-18 JP claimed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP claimed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO claimed
EP-1041982-A4 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER PHARMACEUTICALS CORP (US) 2006-06-14 EP disclosed
EP-1047418-A4 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER AG (US) 2001-02-07 EP disclosed
EP-1047418-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-11-02 EP disclosed
EP-1041982-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS Bayer Corporation (US) 2000-10-11 EP disclosed
WO-1999032106-A1 INHIBITION OF RAF KINASE USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed
WO-1999032111-A1 INHIBITION OF p38 KINASE ACTIVITY USING SUBSTITUTED HETEROCYCLIC UREAS BAYER CORPORATION (US) 1999-07-01 WO disclosed