SCHEMBL13848016

SCHEMBL13848016

COCCN(C)c1cc(-c2cnc(N)nc2)nc(N2CCOCC2)n1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 18/20 0.57
▸ MAP3K12 Q12852 1/20 0.57
▸ PIK3R1 P27986 13/20 0.54
▸ PIK3CG P48736 2/20 0.52
▸ PIK3CD O00329 3/20 0.51
▸ PIK3CB P42338 3/20 0.51
▸ MTOR P42345 2/20 0.51
▸ PI4KB Q9UBF8 1/20 0.51

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
SCHEMBL13848196 0.91 PIK3CA (0.58) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL10328284 0.84 PIK3CA (0.69) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL13848164 0.82 PIK3CG (0.60) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL13848234 0.81 PIK3CA (0.57) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL4125340 0.79 PIK3CA (0.60) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL13848133 0.78 PIK3CA (0.65) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL10327936 0.78 PIK3CA (0.65) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL10327966 0.78 PIK3CA (0.84) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL10327693 0.78 PIK3CA (0.61) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD
SCHEMBL13848112 0.77 PIK3CA (0.60) PIK3CAMAP3K12PIK3R1PIK3CGPIK3CD

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
Send feedback