SCHEMBL7993156

SCHEMBL7993156

CNc1nccc(-c2c3cccccc-3nc2-c2ccc(F)cc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKB Q96GD4 3/20 0.49
AURKA O14965 2/20 0.49
TPX2 Q9ULW0 2/20 0.49
MAPK14 Q16539 6/20 0.48
MAPK13 O15264 3/20 0.48
MAPK12 P53778 2/20 0.48
MAPK11 Q15759 2/20 0.48
MAPK9 P45984 2/20 0.48
RAF1 P04049 1/20 0.48
GSK3B P49841 3/20 0.47
ADORA1 P30542 1/20 0.45
EIF2AK2 P19525 2/20 0.42
SCN9A Q15858 1/20 0.42
AKT3 Q9Y243 1/20 0.41
DYRK1A Q13627 2/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
LCK P06239 1/20 0.41
LYN P07948 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL7982783 0.80 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL7996991 0.79 CSNK1A1 (0.53) AURKBAURKATPX2MAPK14MAPK13
SCHEMBL5260080 0.79 MAPK14 (0.49) AURKBAURKATPX2MAPK14MAPK13
SCHEMBL7997004 0.74 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL5850146 0.73 MAPK14 (0.49) AURKBAURKATPX2MAPK14MAPK13
SCHEMBL8000327 0.73 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL10290856 0.72 CSNK1D (0.54) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6752469 0.72 MAPK14 (0.52) AURKBAURKATPX2MAPK14MAPK13
SCHEMBL10290368 0.71 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL5316895 0.71 TDP1 (0.63) AURKBAURKAMAPK14MAPK13MAPK12

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