SCHEMBL3976592

SCHEMBL3976592

CNC(=O)Nc1ccc(-c2nc(CSc3nc(C)c[nH]3)cc(N3CCOC[C@@H]3C)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 17/20 0.56
PIK3CD O00329 5/20 0.56
MTOR P42345 7/20 0.55
CYP3A4 P08684 1/20 0.44

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
SCHEMBL3601671 0.88 PIK3CA (0.56) PIK3CAPIK3CDMTOR
SCHEMBL3594469 0.86 PIK3CA (0.58) PIK3CAPIK3CDMTORCYP3A4
SCHEMBL3609798 0.85 PIK3CA (0.60) PIK3CAPIK3CDMTOR
SCHEMBL3603952 0.85 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL3596319 0.84 PIK3CA (0.59) PIK3CAPIK3CDMTOR
SCHEMBL3602677 0.84 PIK3CA (0.61) PIK3CAPIK3CDMTOR
SCHEMBL3601538 0.84 PIK3CA (0.60) PIK3CAPIK3CDMTOR
SCHEMBL3592694 0.84 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL3598836 0.83 PIK3CA (0.62) PIK3CAPIK3CDMTOR
SCHEMBL3601014 0.83 PIK3CA (0.58) 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