SCHEMBL1645879

SCHEMBL1645879

CCC(=O)Nc1cc(-c2cn(C3CCCCO3)nc2-c2ccc(F)cc2)ccn1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 2/20 0.47
MAPK14 Q16539 17/20 0.46
GSK3B P49841 7/20 0.42
GSK3A P49840 1/20 0.42
MAPK10 P53779 3/20 0.42
CSNK1D P48730 1/20 0.42
ABL1 P00519 1/20 0.40

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
SCHEMBL1645134 0.91 MAPK14 (0.42) RIPK3MAPK14GSK3BMAPK10CSNK1D
SCHEMBL1645057 0.88 MAPK14 (0.43) MAPK14GSK3BGSK3AMAPK10CSNK1D
SCHEMBL1647509 0.88 RIPK3 (0.46) RIPK3MAPK14GSK3BMAPK10CSNK1D
SCHEMBL16105324 0.86 CSNK1D (0.50) RIPK3MAPK14GSK3BGSK3ACSNK1D
SCHEMBL1649098 0.83 ABL1 (0.41) MAPK14GSK3BCSNK1DABL1
SCHEMBL1645150 0.82 CSNK1D (0.40) MAPK14GSK3BCSNK1DABL1
SCHEMBL1646713 0.81 CSNK1D (0.44) MAPK14CSNK1DABL1
SCHEMBL16105393 0.81 MAPK14 (0.52) RIPK3MAPK14GSK3BGSK3A
SCHEMBL1646072 0.80 MCL1 (0.42) MAPK10CSNK1DABL1
SCHEMBL1645070 0.79 CSNK1D (0.42) MAPK14CSNK1DABL1

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-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-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