SCHEMBL1998934

SCHEMBL1998934

Fc1ccc(-c2c(-c3ccncc3)n(CCCn3ccnc3)c3nccnc23)cc1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.48
QPCT Q16769 3/20 0.47
CYP19A1 P11511 1/20 0.45
PRKCI P41743 1/20 0.41
MEN1 O00255 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TP53 P04637 1/20 0.41
RIPK3 Q9Y572 2/20 0.40

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 0.85 MAPK14 (0.55) MAPK14RIPK3
SCHEMBL2001207 0.85 QPCT (0.48) MAPK14QPCTRIPK3
SCHEMBL1996343 0.81 MAPK14 (0.43) MAPK14RIPK3
SCHEMBL1995055 0.81 RIPK3 (0.58) MAPK14RIPK3
SCHEMBL1995963 0.81 MAPK14 (0.52) MAPK14RIPK3
SCHEMBL1996441 0.80 MAPK14 (0.54) MAPK14RIPK3
SCHEMBL1993317 0.79 MAPK14 (0.67) MAPK14
SCHEMBL1994116 0.78 MAPK14 (0.70) MAPK14RIPK3
SCHEMBL1995955 0.77 MAPK14 (0.43) MAPK14RIPK3
SCHEMBL1994450 0.74 MAPK14 (0.67) 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