SCHEMBL9955040

SCHEMBL9955040

COc1ncc(B(O)O)cc1S(=O)(=O)Nc1ccc(F)cc1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 8/20 0.51
PI4KA P42356 7/20 0.51
PIK3C3 Q8NEB9 2/20 0.50
POLB P06746 1/20 0.48
PIK3CA P42336 8/20 0.47
MTOR P42345 5/20 0.47
PIK3R1 P27986 3/20 0.47
PI4KB Q9UBF8 1/20 0.47
LMNA P02545 1/20 0.46
ACLY P53396 1/20 0.46
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
PRKDC P78527 1/20 0.46
PDE4D Q08499 1/20 0.46
RICTOR Q6R327 1/20 0.46
RPTOR Q8N122 1/20 0.46
PIP4K2C Q8TBX8 1/20 0.46
MAPKAP1 Q9BPZ7 1/20 0.46
MLST8 Q9BVC4 1/20 0.46
IRAK3 Q9Y616 1/20 0.46

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
SCHEMBL25230896 0.87 PIK3CA (0.56) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL29536997 0.87 PIK3CA (0.56) PIK3CGPI4KAPIK3C3PIK3CAMTOR
SCHEMBL789782 0.83 LMNA (0.55) PIK3CGPI4KAPIK3C3POLBPIK3CA
SCHEMBL9953017 0.83 PI4KA (0.53) PIK3CGPI4KAPIK3C3POLBPIK3CA
SCHEMBL30902109 0.83 PI4KA (0.53) PIK3CGPI4KAPIK3C3POLBPIK3CA
SCHEMBL14247235 0.78 PIK3CG (0.53) PIK3CGPIK3C3PIK3CAPIK3R1PIK3CD
SCHEMBL9952833 0.78 SLC22A12 (0.54) PIK3CGPI4KAPIK3C3POLBPIK3CA
SCHEMBL16926674 0.77 PIK3C3 (0.58) PIK3C3PIK3CAMTOR
SCHEMBL9953720 0.76 ALPL (0.62) PIK3CGPI4KAPIK3C3POLBPIK3CA
SCHEMBL16990857 0.75 PIK3C3 (0.86) PIK3C3PIK3CAPIK3R1

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-2012087938-A1 QUINAZOLINONE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-06-28 WO disclosed