SCHEMBL1647431

SCHEMBL1647431

CCOC(=O)CCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.54
MAPK13 O15264 2/20 0.54
MAPK12 P53778 2/20 0.54
MAPK11 Q15759 2/20 0.54
CSNK1D P48730 2/20 0.54
CSNK1E P49674 2/20 0.54
FAAH O00519 1/20 0.49
PTGS2 P35354 1/20 0.44
PDE10A Q9Y233 2/20 0.44
SLC6A3 Q01959 1/20 0.44
GCGR P47871 1/20 0.44

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
SCHEMBL5256066 0.83 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL9877113 0.83 GAA (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1385933 0.82 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646293 0.81 PTGIR (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105303 0.81 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5257891 0.81 CSNK1D (0.56) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL6077523 0.80 CSNK1D (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1892201 0.80 CSNK1D (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL12570357 0.78 CSNK1D (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647012 0.78 CSNK1D (0.63) MAPK14MAPK13MAPK12MAPK11CSNK1D

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2784072-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784073-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784071-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2784070-A1 3-PHENYL-4-PYRI(MI)DINYL-1H-PYRAZOLES AND THEIR USE AS FUNGICIDES Bayer CropScience AG (DE) 2014-10-01 EP disclosed
EP-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed