SCHEMBL1645170

SCHEMBL1645170

Fc1ccc(-c2nn(Cc3ccc(F)c(Oc4ccccc4)c3)cc2-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPK14 Q16539 2/20 0.44
CSNK1D P48730 1/20 0.44
CSNK1E P49674 1/20 0.44
SRC P12931 2/20 0.43
BRAF P15056 2/20 0.43
KDR P35968 2/20 0.43
PDE10A Q9Y233 8/20 0.42
PDE4A P27815 3/20 0.42
PDE4B Q07343 3/20 0.42
PTGS2 P35354 2/20 0.41
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
PDE3B Q13370 2/20 0.38
PDE3A Q14432 2/20 0.38

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
SCHEMBL1646207 0.87 MAPK14 (0.46) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1646248 0.82 MAPK14 (0.58) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1645760 0.82 MAPK14 (0.60) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1647484 0.81 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1646161 0.80 MAPK14 (0.50) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1646093 0.79 CSNK1D (0.53) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1644870 0.78 MAPK14 (0.65) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1646943 0.75 MAPK14 (0.54) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1647991 0.75 MAPK13 (0.52) MAPK13MAPK12MAPK11MAPK14CSNK1D
SCHEMBL1646564 0.74 MAPK13 (0.53) MAPK13MAPK12MAPK11MAPK14CSNK1D

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-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-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-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed