SCHEMBL1648282

SCHEMBL1648282

N#CCCn1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1D P48730 2/20 0.59
CSNK1E P49674 2/20 0.59
MAPK13 O15264 1/20 0.59
MAPK12 P53778 1/20 0.59
MAPK11 Q15759 1/20 0.59
MAPK14 Q16539 1/20 0.59
ALDH1A1 P00352 3/20 0.58
MAPT P10636 4/20 0.54
RECQL P46063 1/20 0.53
HPGD P15428 1/20 0.49
BRAF P15056 3/20 0.48
SRC P12931 2/20 0.48
KDR P35968 2/20 0.48
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
TDP1 Q9NUW8 1/20 0.45
PTGS2 P35354 1/20 0.45
POLB P06746 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44

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
SCHEMBL16105234 0.87 MAPK14 (0.58) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1892201 0.84 CSNK1D (0.65) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL6077523 0.84 CSNK1D (0.65) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL5448018 0.80 MAPK14 (0.59) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1647012 0.80 CSNK1D (0.63) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL6077324 0.80 CSNK1D (0.63) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL12570357 0.80 CSNK1D (0.63) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL5450353 0.80 CSNK1D (0.63) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL1645079 0.80 MAPK14 (0.63) CSNK1DCSNK1EMAPK13MAPK12MAPK11
SCHEMBL10358689 0.79 ALDH1A1 (0.63) ALDH1A1MAPTHPGDKMT2AMEN1

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