SCHEMBL3976549

SCHEMBL3976549

CNC(=O)Nc1ccc(-c2nc(CS(=O)(=O)C(C)C(N)=O)cc(N3CCOC[C@@H]3C)n2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3CD O00329 8/20 0.66
MTOR P42345 5/20 0.65

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
SCHEMBL3592195 0.92 PIK3CA (0.70) PIK3CAPIK3CDMTOR
SCHEMBL3602511 0.88 PIK3CA (0.84) PIK3CAPIK3CDMTOR
SCHEMBL3602317 0.87 PIK3CA (0.68) PIK3CAPIK3CDMTOR
SCHEMBL13948508 0.87 PIK3CA (0.75) PIK3CAPIK3CDMTOR
SCHEMBL11898411 0.87 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL11898412 0.87 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL3599028 0.85 PIK3CA (0.70) PIK3CAPIK3CDMTOR
SCHEMBL3592486 0.85 PIK3CA (0.69) PIK3CAPIK3CDMTOR
SCHEMBL3595238 0.85 PIK3CA (0.69) PIK3CAPIK3CDMTOR
SCHEMBL3592054 0.85 PIK3CA (0.69) PIK3CAPIK3CDMTOR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2057140-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS AstraZeneca AB (SE) 2009-05-13 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed