SCHEMBL13848003

SCHEMBL13848003

Nc1ncc(-c2cc(NCCc3ccccc3)nc(N3CCOCC3)n2)cn1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.62
ACHE P22303 1/20 0.61
HRH1 P35367 1/20 0.60
HRH4 Q9H3N8 1/20 0.60
PIK3CG P48736 5/20 0.59
PIK3CB P42338 5/20 0.59
AKT1 P31749 1/20 0.57
MAP3K12 Q12852 1/20 0.56
PIK3R1 P27986 6/20 0.56
PIK3CD O00329 2/20 0.55
MTOR P42345 1/20 0.55
PI4KB Q9UBF8 1/20 0.55

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
SCHEMBL13848167 0.91 PIK3CA (0.69) PIK3CAACHEPIK3CGPIK3CBMAP3K12
SCHEMBL13848181 0.91 PIK3CA (0.73) PIK3CAACHEPIK3CGPIK3CBMAP3K12
SCHEMBL13848250 0.90 PIK3CA (0.65) PIK3CAACHEHRH1HRH4PIK3CG
SCHEMBL13848256 0.87 PIK3CA (0.73) PIK3CAPIK3CGPIK3CBMAP3K12PIK3R1
SCHEMBL13848253 0.83 ADK (0.57) PIK3CAPIK3CGPIK3CBMAP3K12PIK3R1
SCHEMBL13848236 0.82 PIK3CA (0.72) PIK3CAPIK3CGPIK3CBMAP3K12PIK3R1
SCHEMBL13848174 0.82 PIK3CA (0.83) PIK3CAPIK3CGPIK3CBMAP3K12PIK3R1
SCHEMBL10327936 0.82 PIK3CA (0.65) PIK3CAPIK3CGPIK3CBMAP3K12PIK3R1
SCHEMBL10328285 0.82 PIK3CA (0.67) PIK3CAACHEHRH1HRH4PIK3CG
SCHEMBL13848242 0.82 PIK3CA (0.59) PIK3CAPIK3CGPIK3CBMAP3K12PIK3R1

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