SCHEMBL13848159

SCHEMBL13848159

Nc1ccc(-c2cc(OCc3cccnc3)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.52
PIK3R1 P27986 1/20 0.50
MTOR P42345 1/20 0.50
PIK3CB P42338 2/20 0.49
PIK3CG P48736 2/20 0.49
CYP11B2 P19099 1/20 0.46
PRKDC P78527 5/20 0.46
MAP3K12 Q12852 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL13848204 0.90 PIK3CA (0.55) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL3992707 0.86 PIK3CA (0.51) PIK3CAPIK3CBPIK3CGCYP11B2PRKDC
SCHEMBL10327964 0.85 PIK3CA (0.69) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL10327850 0.82 PIK3CA (0.70) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL13848119 0.81 PIK3CA (0.53) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL10328181 0.81 PIK3CA (0.71) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL13848198 0.80 PIK3CA (0.60) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL10328141 0.79 PIK3CA (0.72) PIK3CAPIK3R1MTORPIK3CBMAP3K12
SCHEMBL12091905 0.79 PIK3CA (0.54) PIK3CAPIK3R1MTORPIK3CBPIK3CG
SCHEMBL10327794 0.77 PIK3CA (0.63) PIK3CAPIK3R1MTORPIK3CBPIK3CG

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