SCHEMBL6583630

SCHEMBL6583630

CCN(c1ccccc1)c1nccc(Oc2ccc(NC(=O)NC3CC3C3CCCCC3)c3ccccc23)n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.40
SYK P43405 6/20 0.40
SRC P12931 6/20 0.38
GSK3A P49840 15/20 0.37
KDR P35968 2/20 0.37
AURKA O14965 1/20 0.36
LCK P06239 1/20 0.36
TEK Q02763 1/20 0.36
AURKB Q96GD4 1/20 0.36
HCK P08631 1/20 0.36
GSK3B P49841 1/20 0.36
MAPK12 P53778 1/20 0.36

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
SCHEMBL6585714 0.83 KDR (0.44) MAPK14SYKSRCGSK3AKDR
SCHEMBL6585819 0.83 KDR (0.40) MAPK14SYKSRCGSK3AKDR
SCHEMBL6584730 0.81 GSK3A (0.43) MAPK14SYKSRCGSK3AHCK
SCHEMBL6587587 0.81 SYK (0.44) MAPK14SYKSRCGSK3AHCK
SCHEMBL6583148 0.81 GSK3A (0.42) MAPK14SYKSRCGSK3AHCK
SCHEMBL6583633 0.80 GSK3A (0.45) MAPK14SYKSRCGSK3AHCK
SCHEMBL6583161 0.80 GSK3A (0.42) MAPK14SYKSRCGSK3AHCK
SCHEMBL6810815 0.77 KDR (0.42) MAPK14GSK3AKDR
SCHEMBL6585339 0.76 KDR (0.40) MAPK14SYKSRCGSK3AKDR
SCHEMBL6589214 0.75 KDR (0.41) MAPK14SYKSRCGSK3AKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004534787-A 2004-11-18 JP claimed
EP-1414810-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2004-05-06 EP claimed
WO-2002098869-A2 1,4-DISUBSTITUTED BENZO-FUSED CYCLOALKYL UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-12-12 WO claimed