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Sugi Predict / Compounds / SCHEMBL28606405

SCHEMBL28606405

SCHEMBL28606405

CC(C)(C)OC(=O)N1CCN(c2nc(-c3ccc4oc(N)nc4c3)nc(N3CCOCC3)n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 1.00
▸ PIK3CD O00329 1/20 0.70
▸ PIK3CB P42338 1/20 0.70
▸ PIK3CG P48736 1/20 0.70
▸ MTOR P42345 2/20 0.53

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
SCHEMBL28611073 0.87 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29970518 0.86 PIK3CA (0.83) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL21189293 0.84 PIK3CA (0.72) PIK3CAPIK3CGMTOR
SCHEMBL30011234 0.83 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL28898926 0.83 PIK3CA (0.74) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL28601878 0.81 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL30805549 0.81 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL29183837 0.81 PIK3CA (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL910378 0.79 PIK3CA (0.66) PIK3CAMTOR
SCHEMBL28608594 0.79 PIK3CA (1.00) PIK3CAPIK3CDPIK3CBPIK3CG

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
CN-113200969-B PI3K alpha selective inhibitor and preparation method and application thereof 中国药科大学 2022-11-25 — — CN disclosed
CN-113200969-A PI3K alpha selective inhibitor and preparation method and application thereof 中国药科大学 2021-08-03 — — CN disclosed