SCHEMBL1996441

SCHEMBL1996441

CN1CCN(CCCn2c(-c3ccncc3)c(-c3ccc(F)cc3)c3nccnc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.54
MAPK11 Q15759 6/20 0.47
MAPK13 O15264 5/20 0.47
MAPK12 P53778 5/20 0.47
RIPK3 Q9Y572 2/20 0.43
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL1993317 0.89 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12
SCHEMBL1997890 0.84 MAPK14 (0.55) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL1995963 0.82 MAPK14 (0.52) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL1998934 0.80 MAPK14 (0.48) MAPK14RIPK3
SCHEMBL1995055 0.80 RIPK3 (0.58) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL1994116 0.80 MAPK14 (0.70) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL2001207 0.80 QPCT (0.48) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL1994450 0.76 MAPK14 (0.67) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL1995955 0.75 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12RIPK3
SCHEMBL1996343 0.74 MAPK14 (0.43) MAPK14MAPK11MAPK13MAPK12RIPK3

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