SCHEMBL4126716

SCHEMBL4126716

CS(=O)(=O)c1ccc(COc2cc(-c3cnc(N)nc3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.53
MAP3K12 Q12852 1/20 0.53
PIK3CB P42338 4/20 0.50
MTOR P42345 4/20 0.50
PIK3CD O00329 3/20 0.50
PIK3CG P48736 3/20 0.50
PI4KB Q9UBF8 1/20 0.50
PIK3R1 P27986 7/20 0.49
AKT1 P31749 3/20 0.48
PIK3C2B O00750 1/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45

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
SCHEMBL4127821 0.91 PIK3CA (0.50) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL13848207 0.87 PIK3CA (0.55) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL13848198 0.86 PIK3CA (0.60) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL3990974 0.86 PIK3CA (0.62) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL13848237 0.84 PIK3CA (0.48) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL13848128 0.84 PIK3CA (0.54) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL13848204 0.81 PIK3CA (0.55) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL13848238 0.80 PIK3CA (0.72) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL3994331 0.79 PIK3CA (0.58) PIK3CAMAP3K12PIK3CBMTORPIK3CD
SCHEMBL3993009 0.79 PIK3CA (0.62) PIK3CAMAP3K12PIK3CBMTORPIK3CD

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-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO claimed
WO-2009066084-A1 2 -MORPHOLINOPYRIMIDINES AND THEIR USE AS PI3 KINASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2009-05-28 WO disclosed