SCHEMBL1648428

SCHEMBL1648428

Fc1ccc(-c2nn(CC3CC3(Cl)Cl)cc2-c2ccncc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.55
MAPK13 O15264 4/20 0.55
MAPK12 P53778 4/20 0.55
MAPK11 Q15759 4/20 0.55
CSNK1D P48730 3/20 0.55
CSNK1E P49674 3/20 0.55
BRAF P15056 7/20 0.47
SRC P12931 2/20 0.47
KDR P35968 2/20 0.47
MAPK3 P27361 2/20 0.40
MAPK1 P28482 2/20 0.40
SLC6A3 Q01959 1/20 0.39
MAP4K4 O95819 2/20 0.39
EGFR P00533 1/20 0.39
FRK P42685 1/20 0.39
MAPK9 P45984 1/20 0.39
CSNK1A1 P48729 1/20 0.39
BMPR1B O00238 1/20 0.39
CIT O14578 1/20 0.39
RIPK2 O43353 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
SCHEMBL1647083 0.83 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1554772 0.80 KMT2A (0.35) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105552 0.80 CSNK1D (0.53) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1644870 0.78 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1647484 0.78 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105633 0.78 MAPK14 (0.54) MAPK14MAPK10
SCHEMBL16105403 0.77 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105636 0.77 CSNK1D (0.42) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105554 0.76 RIPK3 (0.43) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645969 0.76 MAPK14 (0.49) 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-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