Sugi Predict

Sugi Predict / Compounds / SCHEMBL4083395

SCHEMBL4083395

SCHEMBL4083395

C[C@H]1COCCN1c1cc(CN2CCS(=O)(=O)CC2)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1.C[C@H]1COCCN1c1cc(COS(C)(=O)=O)nc(-c2ccc(NC(=O)NC3CC3)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.56
▸ PIK3CD O00329 7/20 0.56
▸ MTOR P42345 10/20 0.55

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
SCHEMBL3608628 0.92 PIK3CA (0.58) PIK3CAPIK3CDMTOR
SCHEMBL3592900 0.92 PIK3CA (0.65) PIK3CAPIK3CDMTOR
SCHEMBL11898406 0.92 PIK3CA (0.65) PIK3CAPIK3CDMTOR
SCHEMBL4083399 0.89 PIK3CA (0.46) PIK3CAPIK3CDMTOR
SCHEMBL3601147 0.85 PIK3CA (0.62) PIK3CAPIK3CDMTOR
SCHEMBL3596078 0.85 PIK3CA (0.60) PIK3CAPIK3CDMTOR
SCHEMBL4253930 0.84 PIK3CA (0.54) PIK3CAPIK3CDMTOR
SCHEMBL3588167 0.84 PIK3CA (0.68) PIK3CAPIK3CDMTOR
SCHEMBL3595284 0.83 PIK3CA (0.67) PIK3CAPIK3CDMTOR
SCHEMBL3604141 0.83 PIK3CA (0.62) 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