SCHEMBL1994561

SCHEMBL1994561

CNc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.66
MAPK13 O15264 2/20 0.52
MAPK12 P53778 2/20 0.52
MAPK11 Q15759 2/20 0.52
PRKD1 Q15139 1/20 0.52
TGFBR1 P36897 2/20 0.42
TGFBR2 P37173 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
GSK3A P49840 1/20 0.42
GSK3B P49841 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
MAPK10 P53779 1/20 0.40
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
CDC42BPB Q9Y5S2 1/20 0.39

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
SCHEMBL1994608 0.87 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1995900 0.85 TGFBR1 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2891170 0.84 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD1
Hydrochloric Acid SCHEMBL6640025 0.84 TGFBR1 (0.59) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1998794 0.83 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1993559 0.82 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1996585 0.82 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1999001 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1993872 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1992432 0.82 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11PRKD1

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