SCHEMBL1648069

SCHEMBL1648069

CC(C)(C)n1cc(-c2ccncc2)c(-c2ccc(F)cc2)n1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.67
MAPK13 O15264 3/20 0.67
MAPK12 P53778 3/20 0.67
MAPK11 Q15759 3/20 0.67
CSNK1D P48730 3/20 0.67
CSNK1E P49674 3/20 0.67
BRAF P15056 5/20 0.56
SRC P12931 2/20 0.56
KDR P35968 2/20 0.56
CSNK1A1 P48729 2/20 0.46
MAP4K4 O95819 1/20 0.46
EGFR P00533 1/20 0.46
FRK P42685 1/20 0.46
MAPK9 P45984 1/20 0.46
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
PDE10A Q9Y233 1/20 0.43

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
SCHEMBL1646042 0.85 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5698604 0.80 CSNK1D (1.00) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL5257540 0.80 CSNK1D (1.00) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647080 0.78 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL990036 0.75 KDM4E (0.40) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646015 0.74 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647091 0.74 MAPK14 (0.55) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645793 0.73 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105481 0.73 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647505 0.73 MAPK14 (0.62) MAPK14MAPK13MAPK12MAPK11CSNK1D

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-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-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