SCHEMBL8000327

SCHEMBL8000327

Fc1ccc(-c2nc3cccccc-3c2-c2ccncc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.57
MAPK10 P53779 1/20 0.57
SRC P12931 1/20 0.51
BRAF P15056 1/20 0.51
KDR P35968 1/20 0.51
MAPK13 O15264 6/20 0.50
MAPK12 P53778 6/20 0.50
MAPK11 Q15759 6/20 0.50
GCGR P47871 5/20 0.50
ALOX5 P09917 3/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
EGFR P00533 1/20 0.49
RAF1 P04049 1/20 0.49
ADORA3 P0DMS8 1/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
ADORA1 P30542 1/20 0.49
GSK3B P49841 1/20 0.49

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
SCHEMBL7982929 0.84 TDP1 (0.45) MAPK14MAPK10SRCBRAFKDR
SCHEMBL7993062 0.84 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7997004 0.82 MAPK14 (0.48) MAPK14MAPK10MAPK13MAPK12MAPK11
SCHEMBL7996121 0.81 MAPK14 (0.53) MAPK14SRCBRAFKDRMAPK13
SCHEMBL7997046 0.75 MAPK11 (0.54) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL7983814 0.75 MAPK14 (0.57) MAPK14KDRMAPK13MAPK12MAPK11
SCHEMBL7982783 0.73 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11ALOX5
SCHEMBL7993156 0.73 AURKB (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6932744 0.72 MAPK14 (0.67) MAPK14MAPK10BRAFMAPK13MAPK12
SCHEMBL9937001 0.70 NOTUM (0.58) MAPK14BRAFMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO claimed
WO-2001057018-A1 AZAAZULENE INHIBITORS OF P38 MAP KINASE AND TNF-ALPHA ABBOTT LABORATORIES (US) 2001-08-09 WO disclosed