SCHEMBL8215015

SCHEMBL8215015

CCNC(=O)Nc1ccc(-c2nc(C[S+](C)[O-])cc(N3CCOC[C@@H]3C)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.75
PIK3CD O00329 9/20 0.75
MTOR P42345 16/20 0.64

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
SCHEMBL8214368 0.91 PIK3CA (0.72) PIK3CAPIK3CDMTOR
SCHEMBL3594241 0.89 PIK3CA (0.81) PIK3CAPIK3CDMTOR
SCHEMBL4407972 0.89 PIK3CA (0.81) PIK3CAPIK3CDMTOR
SCHEMBL3588158 0.86 PIK3CA (1.00) PIK3CAPIK3CDMTOR
SCHEMBL3604925 0.86 PIK3CA (0.87) PIK3CAPIK3CDMTOR
SCHEMBL8097550 0.85 PIK3CA (0.55) PIK3CAPIK3CDMTOR
SCHEMBL4415433 0.84 PIK3CA (0.73) PIK3CAPIK3CDMTOR
SCHEMBL3602550 0.84 PIK3CA (0.83) PIK3CAPIK3CDMTOR
SCHEMBL3607546 0.84 PIK3CA (0.83) PIK3CAPIK3CDMTOR
SCHEMBL3602485 0.84 PIK3CA (0.83) 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-B1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2012-08-08 EP disclosed
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 WO disclosed