SCHEMBL1996314

SCHEMBL1996314

O=C(Cn1ccnc1)Nc1cc(-c2[nH]c3nccnc3c2-c2ccc(F)cc2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 12/20 0.51
GSK3B P49841 5/20 0.46
DYRK1A Q13627 2/20 0.46
CYP19A1 P11511 1/20 0.43
PRKD1 Q15139 1/20 0.43
MAPK13 O15264 1/20 0.43
MAPK12 P53778 1/20 0.43
MAPK11 Q15759 1/20 0.43
TGFBR1 P36897 2/20 0.41
TGFBR2 P37173 2/20 0.41
NTRK1 P04629 1/20 0.41
CSNK1D P48730 1/20 0.40
CSNK1E P49674 1/20 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
SCHEMBL2001208 0.84 MAPK14 (0.50) MAPK14GSK3BDYRK1APRKD1MAPK13
SCHEMBL1995629 0.82 MAPK14 (0.48) MAPK14GSK3BDYRK1APRKD1MAPK13
SCHEMBL1998794 0.81 MAPK14 (0.54) MAPK14GSK3BPRKD1MAPK13MAPK12
SCHEMBL1999853 0.81 MAPK14 (0.53) MAPK14PRKD1MAPK13MAPK12MAPK11
SCHEMBL1996259 0.81 MAPK14 (0.53) MAPK14GSK3BPRKD1MAPK13MAPK12
SCHEMBL1997675 0.80 MAPK14 (0.52) MAPK14GSK3BPRKD1MAPK13MAPK12
SCHEMBL1995900 0.80 TGFBR1 (0.60) MAPK14GSK3BPRKD1MAPK13MAPK12
Hydrochloric Acid SCHEMBL6640025 0.79 TGFBR1 (0.59) MAPK14GSK3BPRKD1MAPK13MAPK12
SCHEMBL25204815 0.78 MAPK14 (0.56) MAPK14GSK3BMAPK13MAPK12MAPK11
SCHEMBL30387946 0.78 MAPK14 (0.56) MAPK14GSK3BMAPK13MAPK12MAPK11

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