SCHEMBL1645228

SCHEMBL1645228

Fc1ccc(-c2nn(Cc3ccccc3-c3ccccc3)cc2-c2ccncc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.53
MAPK13 O15264 4/20 0.53
MAPK12 P53778 4/20 0.53
MAPK11 Q15759 4/20 0.53
CSNK1D P48730 1/20 0.53
CSNK1E P49674 1/20 0.53
SRC P12931 3/20 0.46
BRAF P15056 3/20 0.46
KDR P35968 3/20 0.46
PTGS2 P35354 2/20 0.46
MAPK10 P53779 1/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
GCGR P47871 3/20 0.41
ALOX5 P09917 1/20 0.41
PDE10A Q9Y233 2/20 0.41
EGFR P00533 1/20 0.41
RAF1 P04049 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2A P29274 1/20 0.41

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
SCHEMBL1646943 0.89 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646248 0.86 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645760 0.86 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1650894 0.85 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646331 0.84 MAPK14 (0.52) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645216 0.84 MAPK14 (0.49) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646161 0.82 MAPK14 (0.50) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1644870 0.82 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647484 0.82 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646766 0.81 CSNK1D (0.53) 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-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-2308866-A1 Phenylpyri(mi)dinylpyrazoles and their use as fungicides Bayer CropScience AG (DE) 2011-04-13 EP disclosed