SCHEMBL1646161

SCHEMBL1646161

Fc1ccc(-c2nn(Cc3cccc(-c4ccccc4)c3)cc2-c2ccncc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.50
MAPK13 O15264 3/20 0.50
MAPK12 P53778 3/20 0.50
MAPK11 Q15759 3/20 0.50
CSNK1D P48730 1/20 0.50
CSNK1E P49674 1/20 0.50
PTGS2 P35354 2/20 0.48
SRC P12931 3/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 3/20 0.46
CYP19A1 P11511 1/20 0.44
PRKCI P41743 1/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
CYP11B1 P15538 3/20 0.42
CYP11B2 P19099 3/20 0.42
GCGR P47871 3/20 0.42
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41

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
SCHEMBL1646248 0.91 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645760 0.91 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646093 0.90 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646207 0.87 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647484 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1644870 0.84 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1554052 0.84 TGFBR1 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645228 0.82 MAPK14 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646564 0.82 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645170 0.80 MAPK13 (0.44) 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-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-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-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