SCHEMBL1999853

SCHEMBL1999853

COCC(=O)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.53
PRKD1 Q15139 1/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
BUB1 O43683 2/20 0.47
RIPK3 Q9Y572 1/20 0.46
TGFBR1 P36897 3/20 0.46
TGFBR2 P37173 3/20 0.46

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
SCHEMBL1998794 0.87 MAPK14 (0.54) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL1996259 0.86 MAPK14 (0.53) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL1995900 0.86 TGFBR1 (0.60) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL1997675 0.85 MAPK14 (0.52) MAPK14PRKD1MAPK13MAPK12MAPK11
Hydrochloric Acid SCHEMBL6640025 0.85 TGFBR1 (0.59) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL1995629 0.82 MAPK14 (0.48) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL2001208 0.82 MAPK14 (0.50) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL25204815 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11BUB1
SCHEMBL30387946 0.82 MAPK14 (0.56) MAPK14MAPK13MAPK12MAPK11BUB1
SCHEMBL1996314 0.81 MAPK14 (0.51) MAPK14PRKD1MAPK13MAPK12MAPK11

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