SCHEMBL1645134

SCHEMBL1645134

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

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 15/20 0.42
RIPK3 Q9Y572 2/20 0.41
ABL1 P00519 2/20 0.41
MAPK10 P53779 3/20 0.40
GSK3B P49841 2/20 0.40
CSNK1D P48730 1/20 0.40
BRAF P15056 1/20 0.39

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
SCHEMBL1645879 0.91 RIPK3 (0.47) MAPK14RIPK3ABL1MAPK10GSK3B
SCHEMBL16105262 0.87 CSNK1D (0.48) MAPK14RIPK3ABL1MAPK10GSK3B
SCHEMBL1647509 0.86 RIPK3 (0.46) MAPK14RIPK3ABL1MAPK10GSK3B
SCHEMBL1645057 0.86 MAPK14 (0.43) MAPK14ABL1MAPK10GSK3BCSNK1D
SCHEMBL1649098 0.81 ABL1 (0.41) MAPK14ABL1GSK3BCSNK1DBRAF
SCHEMBL16105479 0.81 MAPK14 (0.47) MAPK14RIPK3ABL1MAPK10GSK3B
SCHEMBL1645150 0.80 CSNK1D (0.40) MAPK14ABL1GSK3BCSNK1DBRAF
SCHEMBL16105465 0.80 CSNK1D (0.58) MAPK14ABL1MAPK10CSNK1D
SCHEMBL16105381 0.80 TGFBR1 (0.42) MAPK14RIPK3ABL1MAPK10GSK3B
SCHEMBL1646713 0.79 CSNK1D (0.44) MAPK14ABL1CSNK1DBRAF

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