SCHEMBL4120917

SCHEMBL4120917

CN(C)CCOc1cc(-c2cnc(Nc3ccccc3)nc2)nc(N2CCOCC2)n1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
HTT P42858 1/20 0.48
PIK3CA P42336 13/20 0.48
PIK3CB P42338 4/20 0.45
PIK3CG P48736 3/20 0.45
PIK3CD O00329 3/20 0.45
MTOR P42345 1/20 0.45
PI4KB Q9UBF8 1/20 0.45
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.42
SMG1 Q96Q15 1/20 0.42
TP53 P04637 1/20 0.41
PIK3R1 P27986 1/20 0.41

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
SCHEMBL4125340 0.83 PIK3CA (0.60) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL10327818 0.76 PIK3CA (0.56) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL10327709 0.76 PIK3CA (0.76) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL10327613 0.74 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL3990409 0.73 PIK3CA (0.58) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL10328228 0.72 PIK3CA (0.64) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL13848198 0.71 PIK3CA (0.60) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL13848174 0.70 PIK3CA (0.83) PIK3CAPIK3CBPIK3CGPIK3CDMTOR
SCHEMBL4116337 0.70 CYP11B2 (0.60) LMNAHTTPIK3CAPIK3CBPIK3CG
SCHEMBL15334724 0.69 PIK3CA (0.54) PIK3CAPIK3CBPIK3CGPIK3CDMTOR

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 claimed