SCHEMBL2040694

SCHEMBL2040694

COc1nnc(C)c(-c2ccc(C(F)(F)F)nc2)c1-c1c(F)cc(F)cc1F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.41
CHEK1 O14757 1/20 0.34
SLC34A1 Q06495 2/20 0.34
PIK3CA P42336 3/20 0.33
KCNH2 Q12809 2/20 0.33
PI4KB Q9UBF8 2/20 0.33
MAP4K4 O95819 1/20 0.33
MINK1 Q8N4C8 1/20 0.33
MTOR P42345 1/20 0.32
TRPV3 Q8NET8 1/20 0.32
PIK3CD O00329 1/20 0.32
PIK3CB P42338 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32

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
SCHEMBL2034329 0.83 PDE10A (0.35) PDE10ASLC34A1PIK3CAKCNH2PI4KB
SCHEMBL1874422 0.83 PDE10A (0.37) PDE10ACHEK1PIK3CAMTORPIK3CD
SCHEMBL2039642 0.81 SLC34A1 (0.32) SLC34A1PIK3CAMTORPIK3CD
SCHEMBL2320569 0.81 PIK3CA (0.35) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2034115 0.80 PDE10A (0.39) PDE10ACHEK1
SCHEMBL2355414 0.78 MEN1 (0.47)
SCHEMBL2321107 0.76 ERN1 (0.39) PIK3CA
SCHEMBL1872289 0.75 NPC1 (0.37) PDE10ACHEK1PIK3CAPIK3CD
SCHEMBL2320556 0.75 MEN1 (0.30)
SCHEMBL3338724 0.75 RAC1 (0.39) PDE10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011076501-A1 NOVEL 5-(PYRIDIN-3-YL)-PYRIDANIZE DERIVATIVES AND THEIR USE AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-30 WO claimed
WO-2011076501-A1 NOVEL 5-(PYRIDIN-3-YL)-PYRIDANIZE DERIVATIVES AND THEIR USE AS MICROBICIDES SYNGENTA PARTICIPATIONS AG (CH) 2011-06-30 WO disclosed