SCHEMBL4125340

SCHEMBL4125340

CN(C)CCOc1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.60
MAP3K12 Q12852 1/20 0.60
PIK3CD O00329 3/20 0.52
PIK3CB P42338 3/20 0.52
PIK3CG P48736 2/20 0.52
MTOR P42345 2/20 0.52
PI4KB Q9UBF8 1/20 0.52
PIK3R1 P27986 11/20 0.52

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
SCHEMBL10327818 0.90 PIK3CA (0.56) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL15334724 0.85 PIK3CA (0.54) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL10327867 0.84 PIK3CA (0.61) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL10327709 0.84 PIK3CA (0.76) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL4125040 0.83 PIK3CA (0.69) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL4120917 0.83 LMNA (0.48) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL10327613 0.82 PIK3CA (0.52) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL3990409 0.81 PIK3CA (0.58) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL13848126 0.81 PIK3CA (0.56) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG
SCHEMBL4114468 0.80 PIK3CA (0.54) PIK3CAMAP3K12PIK3CDPIK3CBPIK3CG

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