SCHEMBL1993559

SCHEMBL1993559

OCCNc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 18/20 0.76
MAPK13 O15264 3/20 0.55
MAPK12 P53778 3/20 0.55
MAPK11 Q15759 3/20 0.55
PRKD1 Q15139 1/20 0.52
RIPK3 Q9Y572 1/20 0.42

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
SCHEMBL1994949 0.94 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD1
Hydrochloric Acid SCHEMBL6640716 0.93 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1996585 0.89 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2000094 0.87 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PRKD1
Trifluoroacetic Acid SCHEMBL6640667 0.86 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2890929 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1991985 0.85 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1994561 0.82 MAPK14 (0.66) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL6640672 0.82 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2887280 0.80 MAPK14 (0.94) 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