SCHEMBL1647002

SCHEMBL1647002

Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ncnc3[nH]ccc23)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.42
CSNK1D P48730 1/20 0.42
MAPK11 Q15759 1/20 0.42
JAK2 O60674 14/20 0.41
JAK3 P52333 11/20 0.38
JAK1 P23458 8/20 0.38
DAPK3 O43293 5/20 0.38
PAK4 O96013 5/20 0.38
RET P07949 5/20 0.38
LTK P29376 5/20 0.38
CSNK1A1 P48729 5/20 0.38
CLK2 P49760 5/20 0.38
DYRK1A Q13627 5/20 0.38
IKBKE Q14164 5/20 0.38
LRRK2 Q5S007 5/20 0.38
CAMK1D Q8IU85 5/20 0.38
CLK4 Q9HAZ1 5/20 0.38
CAMK2A Q9UQM7 5/20 0.38
TBK1 Q9UHD2 4/20 0.38
PRKD3 O94806 4/20 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
SCHEMBL1646367 0.88 JAK2 (0.41) MAPK14JAK2JAK3JAK1DAPK3
SCHEMBL1647776 0.87 MAPK14 (0.59) MAPK14CSNK1DMAPK11ROCK1AURKA
SCHEMBL1647208 0.75 MAPK14 (0.51) MAPK14CSNK1DMAPK11KDRBRAF
SCHEMBL1648278 0.75 AURKB (0.48) MAPK14CSNK1DMAPK11ROCK1AURKA
SCHEMBL1645070 0.75 CSNK1D (0.42) MAPK14CSNK1DMAPK11ABL1BRAF
SCHEMBL1645407 0.73 BRAF (0.37) MAPK14CSNK1DMAPK11CSNK1A1MAP4K4
SCHEMBL16105443 0.73 MAPK14 (0.53) MAPK14CSNK1DMAPK11JAK2JAK3
SCHEMBL1647326 0.73 MAPK14 (0.43) MAPK14CSNK1DMAPK11AURKAKDR
SCHEMBL1646713 0.73 CSNK1D (0.44) MAPK14CSNK1DMAPK11KDRABL1
SCHEMBL26113804 0.73 ABL1 (0.38) MAPK14ABL1

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-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-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