SCHEMBL1994514

SCHEMBL1994514

O=[N+]([O-])c1c[nH]c(CCCn2c(-c3ccncc3)c(-c3ccc(F)cc3)c3nccnc32)n1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 11/20 0.41
RIPK3 Q9Y572 8/20 0.38
SRC P12931 1/20 0.35
BRAF P15056 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL1996343 0.80 MAPK14 (0.43) MAPK14RIPK3SRCBRAFKDR
SCHEMBL1995955 0.77 MAPK14 (0.43) MAPK14RIPK3SRCBRAFKDR
SCHEMBL1997890 0.77 MAPK14 (0.55) MAPK14RIPK3
SCHEMBL1995963 0.72 MAPK14 (0.52) MAPK14RIPK3
SCHEMBL1995055 0.72 RIPK3 (0.58) MAPK14RIPK3
SCHEMBL1998934 0.71 MAPK14 (0.48) MAPK14RIPK3
SCHEMBL2001207 0.71 QPCT (0.48) MAPK14RIPK3
SCHEMBL1994116 0.70 MAPK14 (0.70) MAPK14RIPK3
SCHEMBL1996441 0.70 MAPK14 (0.54) MAPK14RIPK3
SCHEMBL1993317 0.69 MAPK14 (0.67) MAPK14

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