SCHEMBL1647868

SCHEMBL1647868

Fc1cccc(F)c1-c1nn(CC(F)(F)F)cc1-c1ccncc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
SRC P12931 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
MAPK14 Q16539 4/20 0.38
CSNK1D P48730 2/20 0.38
CSNK1E P49674 2/20 0.38
MAPK13 O15264 1/20 0.38
MAPK12 P53778 1/20 0.38
MAPK11 Q15759 1/20 0.38
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37

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
SCHEMBL1646563 0.88 MAPK13 (0.40) PDE10ASRCBRAFKDRMAPK14
SCHEMBL1646015 0.81 MAPK14 (0.59) PDE10ASRCBRAFKDRMAPK14
SCHEMBL1646701 0.81 S1PR1 (0.41) PDE10ASRCBRAFKDRMAPK14
SCHEMBL3270675 0.80 PDE10A (0.48) PDE10ASRCBRAFKDRMAPK14
SCHEMBL28030543 0.78 PDE10A (0.48) PDE10ASRCBRAFKDRMAPK14
SCHEMBL1648437 0.78 MAPK13 (0.38) PDE10ABRAFMAPK14CSNK1DCSNK1E
SCHEMBL1758859 0.77 PDE10A (0.58) PDE10ASRCBRAFKDRMAPK14
SCHEMBL1554947 0.74 MAPK14 (0.43) SRCBRAFKDRMAPK14CSNK1D
SCHEMBL3269569 0.73 PDE10A (0.56) PDE10A
SCHEMBL1645638 0.73 CYP2C9 (0.45) LMNA

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