SCHEMBL1647776

SCHEMBL1647776

Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccnc3[nH]ccc23)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 8/20 0.59
CSNK1D P48730 5/20 0.59
MAPK11 Q15759 3/20 0.59
AURKB Q96GD4 9/20 0.48
AURKA O14965 8/20 0.48
EGFR P00533 2/20 0.43
PIK3C3 Q8NEB9 1/20 0.41
INCENP Q9NQS7 2/20 0.40
LYN P07948 1/20 0.40
IGF1R P08069 1/20 0.40
MET P08581 1/20 0.40
ROCK1 Q13464 1/20 0.40
BRAF P15056 1/20 0.39
PRKCI P41743 1/20 0.39
MAPK13 O15264 1/20 0.38
CSNK1E P49674 1/20 0.38
MAPK12 P53778 1/20 0.38
KCNH2 Q12809 1/20 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
SCHEMBL1648278 0.88 AURKB (0.48) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL1647002 0.87 MAPK14 (0.42) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL1646703 0.84 NUDT1 (0.53) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL1648143 0.83 BRAF (0.46) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL1647326 0.83 MAPK14 (0.43) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL16655277 0.80 AURKB (0.44) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL16655108 0.80 AURKB (0.42) MAPK14CSNK1DMAPK11AURKBAURKA
SCHEMBL16655428 0.79 AURKB (0.46) AURKBAURKAPIK3C3INCENPLYN
SCHEMBL1647208 0.78 MAPK14 (0.51) MAPK14CSNK1DMAPK11BRAFMAPK13
SCHEMBL16655062 0.77 AURKB (0.57) AURKBAURKAPIK3C3INCENPIGF1R

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-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-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