SCHEMBL1646570

SCHEMBL1646570

Fc1ccc(-c2nn(-c3nnc(C(F)(F)F)s3)cc2-c2ccncc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 4/20 0.62
KDR P35968 4/20 0.62
SRC P12931 3/20 0.62
MAPK14 Q16539 6/20 0.51
CSNK1D P48730 3/20 0.51
MAPK13 O15264 2/20 0.51
MAPK12 P53778 2/20 0.51
MAPK11 Q15759 2/20 0.51
CSNK1E P49674 2/20 0.51
PTGS2 P35354 2/20 0.46
MAP4K4 O95819 2/20 0.37
MAPK9 P45984 2/20 0.37
CSNK1A1 P48729 2/20 0.37
CDC42BPA Q5VT25 1/20 0.37
AURKB Q96GD4 1/20 0.37
MAP4K5 Q9Y4K4 1/20 0.37
EGFR P00533 1/20 0.36
FRK P42685 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL14839424 0.77 BRAF (1.00) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL1647214 0.72 KDR (0.72) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL1646508 0.71 SRC (0.61) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL5352369 0.70 BRAF (0.61) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL5356381 0.69 KDR (0.52) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL1646015 0.69 MAPK14 (0.59) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL5257540 0.69 CSNK1D (1.00) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL5698604 0.69 CSNK1D (1.00) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL1648069 0.68 MAPK14 (0.67) BRAFKDRSRCMAPK14CSNK1D
SCHEMBL1648432 0.67 CSNK1D (0.56) BRAFKDRSRCMAPK14CSNK1D

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