SCHEMBL4407972

SCHEMBL4407972

CCNC(=O)Nc1ccc(-c2nc(CO)cc(N3CCOCC3C)n2)cc1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.81
PIK3CD O00329 8/20 0.81
MTOR P42345 15/20 0.71

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
SCHEMBL3594241 1.00 PIK3CA (0.81) PIK3CAPIK3CDMTOR
SCHEMBL3607960 0.91 PIK3CA (0.68) PIK3CAPIK3CDMTOR
SCHEMBL11898370 0.90 PIK3CA (0.67) PIK3CAPIK3CDMTOR
SCHEMBL3602077 0.90 PIK3CA (0.67) PIK3CAPIK3CDMTOR
SCHEMBL3588158 0.90 PIK3CA (1.00) PIK3CAPIK3CDMTOR
SCHEMBL3604925 0.90 PIK3CA (0.87) PIK3CAPIK3CDMTOR
SCHEMBL8215015 0.89 PIK3CA (0.75) PIK3CAPIK3CDMTOR
SCHEMBL3601051 0.89 PIK3CA (0.65) PIK3CAPIK3CDMTOR
SCHEMBL4409240 0.88 PIK3CA (0.82) PIK3CAPIK3CDMTOR
SCHEMBL3592142 0.88 PIK3CA (0.82) 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