SCHEMBL1646401

SCHEMBL1646401

CC(C)C(=O)Nc1cc(-c2cn(C(C)C)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.47
CSNK1D P48730 5/20 0.47
NR3C2 P08235 3/20 0.47
ABL1 P00519 1/20 0.46
CSNK1E P49674 2/20 0.45
MAPK13 O15264 2/20 0.44
MAPK12 P53778 2/20 0.44
KCNH2 Q12809 2/20 0.44
MAPK11 Q15759 2/20 0.44
MAPT P10636 1/20 0.43
GSK3B P49841 1/20 0.43
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
RIPK3 Q9Y572 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
SCHEMBL16105287 0.94 MAPK14 (0.47) MAPK14CSNK1DNR3C2CSNK1EMAPK13
SCHEMBL16105565 0.90 MAPK14 (0.58) MAPK14CSNK1DMAPK13MAPK12KCNH2
SCHEMBL16105592 0.90 MAPK14 (0.46) MAPK14CSNK1DNR3C2ABL1CSNK1E
SCHEMBL16105613 0.89 CSNK1D (0.58) MAPK14CSNK1DNR3C2ABL1CSNK1E
SCHEMBL16105466 0.89 CSNK1D (0.46) MAPK14CSNK1DNR3C2CSNK1EMAPK13
SCHEMBL16105288 0.88 RIPK3 (0.46) MAPK14CSNK1DNR3C2ABL1MAPT
SCHEMBL1645214 0.88 MAPK14 (0.51) MAPK14CSNK1DNR3C2ABL1CSNK1E
SCHEMBL16105432 0.87 MAPK14 (0.42) MAPK14CSNK1DNR3C2ABL1CSNK1E
SCHEMBL16105436 0.87 MAPK14 (0.43) MAPK14CSNK1DNR3C2ABL1CSNK1E
SCHEMBL16105531 0.87 MAPK14 (0.45) MAPK14CSNK1DNR3C2CSNK1EMAPK13

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