SCHEMBL1997697

SCHEMBL1997697

CC(=O)Nc1cnc2c(-c3ccc(F)cc3)c(-c3ccncc3)[nH]c2n1

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.70
MAPK13 O15264 6/20 0.70
MAPK12 P53778 6/20 0.70
MAPK11 Q15759 6/20 0.70
GSK3B P49841 2/20 0.48
TGFBR1 P36897 2/20 0.45
TGFBR2 P37173 2/20 0.45
RAB9A P51151 1/20 0.44
MET P08581 1/20 0.43

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
SCHEMBL1992442 0.89 TGFBR1 (0.57) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL6639110 0.82 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL2000156 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL2003296 0.77 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL2000179 0.77 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL1995900 0.77 TGFBR1 (0.60) MAPK14MAPK13MAPK12MAPK11GSK3B
Hydrochloric Acid SCHEMBL6640025 0.76 TGFBR1 (0.59) MAPK14MAPK13MAPK12MAPK11GSK3B
SCHEMBL1994242 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL6640941 0.74 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL1994608 0.74 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11TGFBR1

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
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP claimed
EP-2338890-A1 4,7-Diazaindole derivatives and their use as fungicides Bayer CropScience AG (DE) 2011-06-29 EP disclosed