SCHEMBL2000156

SCHEMBL2000156

COc1cnc2c(-c3ccc(F)cc3)c(-c3ccncc3)[nH]c2n1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.67
MAPK13 O15264 11/20 0.67
MAPK12 P53778 11/20 0.67
MAPK11 Q15759 11/20 0.67
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2C P28335 1/20 0.54
ADORA2A P29274 1/20 0.54
ADORA1 P30542 1/20 0.54
RAF1 P04049 3/20 0.51
DYRK1A Q13627 3/20 0.51
MET P08581 1/20 0.46
ALOX5 P09917 1/20 0.46
GCGR P47871 1/20 0.46

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
SCHEMBL2000179 0.81 MAPK14 (0.63) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL2003296 0.81 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL1994242 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL6640941 0.78 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL1997697 0.77 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11MET
SCHEMBL8705885 0.73 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL2891806 0.72 MAPK14 (0.67) MAPK14MAPK13MAPK12MAPK11RAF1
SCHEMBL1994608 0.71 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11
SCHEMBL1996761 0.70 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CYP3A4
SCHEMBL149547 0.70 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11CYP3A4

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