SCHEMBL8000428

SCHEMBL8000428

Fc1cc(-c2c3cccccc-3nc2-c2cccc(C(F)(F)F)c2)ccn1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.54
TDP1 Q9NUW8 1/20 0.47
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
RAF1 P04049 1/20 0.46
MAPK9 P45984 1/20 0.46
TDO2 P48775 1/20 0.46
ADORA2A P29274 2/20 0.45
ADORA1 P30542 2/20 0.45
KMO O15229 1/20 0.45
TGFBR1 P36897 1/20 0.44
GSK3B P49841 3/20 0.43
MAOB P27338 1/20 0.43
ATR Q13535 1/20 0.42
SYK P43405 1/20 0.41
CTSS P25774 1/20 0.40

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
SCHEMBL7983814 0.86 MAPK14 (0.57) MAPK14TDP1MAPK13MAPK12MAPK11
SCHEMBL7996541 0.82 ADORA2B (0.46) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7997004 0.81 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11ADORA2A
SCHEMBL7676429 0.79 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL7996991 0.78 CSNK1A1 (0.53) MAPK14MAPK13MAPK12MAPK11MAPK9
SCHEMBL3164807 0.69 TGFBR1 (0.54) TDO2KMOTGFBR1MAOBCTSS
SCHEMBL3231606 0.68 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL11976488 0.68 TDO2 (0.60) MAPK14TDP1MAPK13MAPK12MAPK11
SCHEMBL29979429 0.68 TGFBR1 (0.60) KMOTGFBR1MAOBCTSS
SCHEMBL4025464 0.68 TGFBR1 (0.60) KMOTGFBR1MAOBCTSS

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