SCHEMBL1646015

SCHEMBL1646015

Fc1ccc(-c2nn(CC(F)(F)F)cc2-c2ccncc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.59
CSNK1D P48730 3/20 0.59
MAPK13 O15264 2/20 0.59
MAPK12 P53778 2/20 0.59
MAPK11 Q15759 2/20 0.59
CSNK1E P49674 2/20 0.59
SRC P12931 2/20 0.57
BRAF P15056 2/20 0.57
KDR P35968 2/20 0.57
PDE10A Q9Y233 1/20 0.56
GCGR P47871 1/20 0.43
MAP4K4 O95819 1/20 0.42
MAPK9 P45984 1/20 0.42
CSNK1A1 P48729 1/20 0.42
CDC42BPA Q5VT25 1/20 0.42
AURKB Q96GD4 1/20 0.42
MAP4K5 Q9Y4K4 1/20 0.42
PTGS2 P35354 1/20 0.42

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
SCHEMBL1758859 0.88 PDE10A (0.58) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL28030543 0.82 PDE10A (0.48) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1644870 0.82 MAPK14 (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL6077523 0.82 CSNK1D (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1647484 0.82 MAPK14 (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1892201 0.82 CSNK1D (0.65) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL16105527 0.82 MAPK14 (0.61) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1647868 0.81 PDE10A (0.49) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL1648432 0.81 CSNK1D (0.56) MAPK14CSNK1DMAPK13MAPK12MAPK11
SCHEMBL5448018 0.81 MAPK14 (0.59) MAPK14CSNK1DMAPK13MAPK12MAPK11

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-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-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-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