SCHEMBL1995055

SCHEMBL1995055

N#CCCCn1c(-c2ccncc2)c(-c2ccc(F)cc2)c2nccnc21

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 7/20 0.58
MAPK14 Q16539 12/20 0.50
MAP4K4 O95819 1/20 0.38
MAPK9 P45984 1/20 0.38
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CDC42BPA Q5VT25 1/20 0.38
AURKB Q96GD4 1/20 0.38
MAP4K5 Q9Y4K4 1/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38

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
SCHEMBL1997890 0.87 MAPK14 (0.55) RIPK3MAPK14MAP4K4MAPK9CSNK1A1
SCHEMBL1995963 0.82 MAPK14 (0.52) RIPK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL1998934 0.81 MAPK14 (0.48) RIPK3MAPK14
SCHEMBL1994116 0.80 MAPK14 (0.70) RIPK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL1996441 0.80 MAPK14 (0.54) RIPK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL1993317 0.79 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2001207 0.78 QPCT (0.48) RIPK3MAPK14MAPK13MAPK12MAPK11
SCHEMBL1994450 0.76 MAPK14 (0.67) RIPK3MAPK14CSNK1DMAPK13MAPK12
SCHEMBL1995955 0.75 MAPK14 (0.43) RIPK3MAPK14MAP4K4MAPK9CSNK1A1
SCHEMBL1996343 0.74 MAPK14 (0.43) RIPK3MAPK14MAP4K4MAPK9CSNK1A1

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