SCHEMBL3629677

SCHEMBL3629677

Cn1nc(C(C)(C)C)cc1N(C(N)=O)c1sccc1-c1ccncc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.40
MAPK14 Q16539 14/20 0.40
MAPK13 O15264 4/20 0.38
MAPK11 Q15759 4/20 0.38
RAF1 P04049 1/20 0.38
ERBB2 P04626 1/20 0.38
PTK2 Q05397 1/20 0.36
KDM4E B2RXH2 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
MAPK12 P53778 3/20 0.34
DDR2 Q16832 1/20 0.34
MAPT P10636 1/20 0.33
CCNC P24863 1/20 0.32
CDK8 P49336 1/20 0.32

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
SCHEMBL7810441 0.73 MAPK13 (0.54) AAK1MAPK14MAPK13MAPK11RAF1
SCHEMBL27842253 0.73 MAPK14 (0.54) AAK1MAPK14MAPK13MAPK11RAF1
SCHEMBL667134 0.72 MAPK14 (0.59) MAPK14MAPK13MAPK11RAF1ERBB2
SCHEMBL3629669 0.72 MAPK14 (0.48) AAK1MAPK14MAPK13MAPK11RAF1
SCHEMBL7813599 0.70 MAPK13 (0.48) AAK1MAPK14MAPK13RAF1
SCHEMBL3628470 0.69 MAPK14 (0.58) AAK1MAPK14MAPK13MAPK11RAF1
SCHEMBL6049963 0.69 MAPK14 (0.43) AAK1MAPK14MAPK13MAPK11RAF1
SCHEMBL7811988 0.68 MAPK14 (0.49) AAK1MAPK14MAPK13MAPK11RAF1
SCHEMBL6049531 0.67 CDC7 (0.33) MAPK14CCNCCDK8
SCHEMBL3631505 0.66 MAPK14 (0.53) MAPK14MAPK13MAPK11RAF1MAPK12

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