SCHEMBL1646733

SCHEMBL1646733

COc1ccc(-c2nn(C3CCCCO3)cc2-c2ccncc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.44
PDE10A Q9Y233 5/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
BRAF P15056 3/20 0.40
MAPK3 P27361 2/20 0.40
MAPK1 P28482 2/20 0.40
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPK14 Q16539 2/20 0.38
KDR P35968 2/20 0.38
BMP4 P12644 1/20 0.38
FLT1 P17948 1/20 0.38
FLT4 P35916 1/20 0.38
MAPK13 O15264 1/20 0.38

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
SCHEMBL1647433 0.87 DYRK1A (0.45) PTGS2PDE10AMEN1KMT2ABRAF
SCHEMBL1646894 0.86 DYRK1A (0.46) PTGS2PDE10ASLC6A3MEN1KMT2A
SCHEMBL1647208 0.85 MAPK14 (0.51) PTGS2BRAFMAPK3MAPK1MAPK14
SCHEMBL1646295 0.82 BRAF (0.40) MEN1KMT2ABRAFGAAL3MBTL1
SCHEMBL1648278 0.79 AURKB (0.48) BRAFMAPK14CSNK1DMAPK11
SCHEMBL1646821 0.77 MAPK14 (0.41) BRAFMAPK3MAPK1MAPK14KDR
SCHEMBL1646367 0.77 JAK2 (0.41) MAPK14KDRFLT1
SCHEMBL1645345 0.76 GRM5 (0.37) BRAFKDR
SCHEMBL1647734 0.76 CYP1A2 (0.38) MEN1KMT2ABRAFMAPK1KDR
SCHEMBL1648066 0.75 MAPK14 (0.43) BRAFMAPK3MAPK1MAPK14KDR

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