SCHEMBL1994450

SCHEMBL1994450

Cn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2nccnc21

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 19/20 0.67
RIPK3 Q9Y572 1/20 0.47
MAPK13 O15264 4/20 0.46
MAPK12 P53778 4/20 0.46
MAPK11 Q15759 4/20 0.46
CSNK1D P48730 1/20 0.43
CSNK1E P49674 1/20 0.43

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
SCHEMBL1994116 0.82 MAPK14 (0.70) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL1999245 0.82 MAPK14 (0.53) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL6640633 0.81 MAPK14 (1.00) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL1997890 0.80 MAPK14 (0.55) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL1995963 0.78 MAPK14 (0.52) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL1996441 0.76 MAPK14 (0.54) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL1995055 0.76 RIPK3 (0.58) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL27158312 0.74 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2001207 0.74 QPCT (0.48) MAPK14RIPK3MAPK13MAPK12MAPK11
SCHEMBL1998934 0.74 MAPK14 (0.48) MAPK14RIPK3

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