SCHEMBL1646207

SCHEMBL1646207

Fc1ccc(-c2nn(Cc3cccc(Oc4ccccc4)c3)cc2-c2ccncc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.46
MAPK13 O15264 2/20 0.46
MAPK12 P53778 2/20 0.46
MAPK11 Q15759 2/20 0.46
CSNK1D P48730 1/20 0.46
CSNK1E P49674 1/20 0.46
PTGS2 P35354 1/20 0.45
BRAF P15056 3/20 0.43
SRC P12931 2/20 0.43
KDR P35968 2/20 0.43
PDE10A Q9Y233 4/20 0.42
PDE4A P27815 1/20 0.42
PDE4B Q07343 1/20 0.42
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 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
SCHEMBL1646161 0.87 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645170 0.87 MAPK13 (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645760 0.87 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646093 0.86 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646248 0.82 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647484 0.81 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1644870 0.81 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1554052 0.80 TGFBR1 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646564 0.79 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645228 0.77 MAPK14 (0.53) 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-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-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-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed