SCHEMBL13848165

SCHEMBL13848165

Nc1ncc(-c2cc(-c3cccc(CN4CCN(c5ncccn5)CC4)c3)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.55
PIK3CD O00329 1/20 0.55
PIK3R1 P27986 1/20 0.55
PIK3CB P42338 1/20 0.55
DRD2 P14416 7/20 0.55
DRD4 P21917 7/20 0.55
DRD3 P35462 7/20 0.55
MAP3K12 Q12852 1/20 0.54
MEN1 O00255 1/20 0.51
ALDH1A1 P00352 1/20 0.51
KMT2A Q03164 1/20 0.51
HSD17B10 Q99714 1/20 0.51
AKT1 P31749 1/20 0.50
MTOR P42345 1/20 0.48
LRRK2 Q5S007 1/20 0.47

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
SCHEMBL4110203 0.90 PIK3CA (0.57) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL4123927 0.86 PIK3CA (0.58) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL3988513 0.84 PIK3CA (0.61) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL4123039 0.83 PIK3CA (0.50) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL3994777 0.82 PIK3CA (0.72) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL3995666 0.81 PIK3CA (0.57) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL13848172 0.81 PIK3CA (0.55) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL13848122 0.79 PIK3CA (0.72) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL10327966 0.78 PIK3CA (0.84) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12
SCHEMBL3993858 0.78 AOC3 (0.52) PIK3CAPIK3CDPIK3R1PIK3CBMAP3K12

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