SCHEMBL1647208

SCHEMBL1647208

Fc1ccc(-c2nn(C3CCCCO3)cc2-c2ccncc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 9/20 0.51
MAPK13 O15264 4/20 0.51
MAPK12 P53778 4/20 0.51
MAPK11 Q15759 4/20 0.51
CSNK1D P48730 2/20 0.51
CSNK1E P49674 2/20 0.51
BRAF P15056 6/20 0.45
SRC P12931 2/20 0.45
KDR P35968 2/20 0.45
MAPK3 P27361 4/20 0.42
MAPK1 P28482 4/20 0.42
PTGS2 P35354 1/20 0.41
RAF1 P04049 1/20 0.40
MAPK9 P45984 1/20 0.40
GCGR P47871 1/20 0.40

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
SCHEMBL1646733 0.85 PTGS2 (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1646713 0.85 CSNK1D (0.44) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645070 0.85 CSNK1D (0.42) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645636 0.83 CSNK1D (0.58) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1645150 0.82 CSNK1D (0.40) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL16105280 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL26113804 0.81 ABL1 (0.38) MAPK14
SCHEMBL1646821 0.80 MAPK14 (0.41) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL1648433 0.80 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11CSNK1D
SCHEMBL1648066 0.80 MAPK14 (0.43) MAPK14MAPK13MAPK12MAPK11BRAF

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