SCHEMBL8214580

SCHEMBL8214580

CN(C)CCNC(=O)Nc1ccc(-c2nc(N)cc(CS(=O)(=O)C3CC3)n2)cc1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.57
MTOR P42345 11/20 0.57
ATM Q13315 5/20 0.47
PIK3CG P48736 5/20 0.47
PIK3CD O00329 4/20 0.45

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
SCHEMBL8214756 0.96 PIK3CA (0.55) PIK3CAMTORATMPIK3CGPIK3CD
SCHEMBL8214040 0.96 PIK3CA (0.54) PIK3CAMTORATMPIK3CGPIK3CD
SCHEMBL8220891 0.89 PIK3CA (0.64) PIK3CAMTORATMPIK3CGPIK3CD
SCHEMBL8098329 0.87 PIK3CA (0.55) PIK3CAMTORATMPIK3CGPIK3CD
SCHEMBL8212679 0.86 PIK3CA (0.47) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8211441 0.85 PIK3CA (0.54) PIK3CAMTORATMPIK3CGPIK3CD
SCHEMBL11925480 0.84 PIK3CA (0.54) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8212562 0.84 PIK3CA (0.53) PIK3CAMTORATMPIK3CGPIK3CD
SCHEMBL8213896 0.83 PIK3CA (0.53) PIK3CAMTORPIK3CGPIK3CD
SCHEMBL8213842 0.83 PIK3CA (0.57) PIK3CAMTORATMPIK3CGPIK3CD

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-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed