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Sugi Predict / Compounds / SCHEMBL1993317

SCHEMBL1993317

SCHEMBL1993317

Fc1ccc(-c2c(-c3ccncc3)n(CCCN3CCOCC3)c3nccnc23)cc1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.67
▸ MAPK13 O15264 13/20 0.59
▸ MAPK12 P53778 13/20 0.59
▸ MAPK11 Q15759 13/20 0.59

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
SCHEMBL1996441 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1997890 0.84 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6640438 0.80 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL27573094 0.80 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1998934 0.79 MAPK14 (0.48) MAPK14
SCHEMBL1995963 0.79 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1995055 0.79 RIPK3 (0.58) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2001207 0.77 QPCT (0.48) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1994116 0.77 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL6171037 0.75 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11

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