SCHEMBL1993871

SCHEMBL1993871

COCCNc1cc(-c2[nH]c3nc(NCCOC)cnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.52
MAPK13 O15264 4/20 0.48
MAPK12 P53778 4/20 0.48
MAPK11 Q15759 4/20 0.48
PRKD1 Q15139 1/20 0.44
LRRK2 Q5S007 1/20 0.43
RIPK3 Q9Y572 1/20 0.42
FYN P06241 1/20 0.41
MKNK1 Q9BUB5 1/20 0.41
PIK3CA P42336 1/20 0.39

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
SCHEMBL2001678 0.94 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1991985 0.83 MAPK14 (0.64) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1994608 0.81 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2891138 0.77 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1992442 0.77 TGFBR1 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1996585 0.75 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1993559 0.75 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL2000094 0.73 MAPK14 (0.61) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL1994949 0.73 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11PRKD1
SCHEMBL4460663 0.73 MAPK14 (0.78) MAPK14MAPK13MAPK12MAPK11

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