SCHEMBL2018305

SCHEMBL2018305

CS(=O)(=O)OCCc1cc(C#N)c2cccnc2c1-c1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
MAP4K4 O95819 2/20 0.35
PDE4A P27815 2/20 0.35
PDE4B Q07343 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
PTK2 Q05397 1/20 0.34
PIK3CD O00329 1/20 0.33
RIPK3 Q9Y572 1/20 0.33
CDC7 O00311 1/20 0.32
ROCK2 O75116 1/20 0.32
PIM1 P11309 1/20 0.32
PRKACA P17612 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
HIPK2 Q9H2X6 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
IRAK4 Q9NWZ3 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
SCHEMBL2016600 0.83 MAP4K4 (0.37) SCN9ANR1H2NR1H3MAP4K4PDE4A
SCHEMBL2010638 0.82 MAP4K4 (0.40) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL2013332 0.82 MAP4K4 (0.42) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL2018303 0.78 PIK3CD (0.41) SCN9ANR1H2NR1H3MAP4K4PDE4A
SCHEMBL2013344 0.73 MAP4K4 (0.41) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL2010635 0.72 PIK3CD (0.44) MAP4K4PDE4APDE4BPDE4CPDE4D
SCHEMBL2013331 0.72 PIK3CD (0.44) MAP4K4PIK3CDCDC7ROCK2PIM1
SCHEMBL2016846 0.71 PIK3CD (0.45) MAP4K4PTK2PIK3CDCDC7ROCK2
SCHEMBL2017932 0.70 SLC22A12 (0.40) SCN9ANR1H2NR1H3
SCHEMBL12470338 0.70 PIK3CD (0.42) MAP4K4PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed