SCHEMBL8214345

SCHEMBL8214345

C[C@H]1COCCN1c1cc(C[S+](C)[O-])nc(-c2cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)s2)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 14/20 0.37
▸ MTOR P42345 5/20 0.37
▸ RPTOR Q8N122 1/20 0.37
▸ MLST8 Q9BVC4 1/20 0.37
▸ PIK3CD O00329 6/20 0.37
▸ PIK3R1 P27986 2/20 0.36
▸ PIK3CB P42338 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ ATR Q13535 6/20 0.35
▸ ATRIP Q8WXE1 6/20 0.35
▸ CHEK1 O14757 3/20 0.34
▸ PDCD1 Q15116 3/20 0.34
▸ CD274 Q9NZQ7 3/20 0.34

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
SCHEMBL3077731 0.87 PIK3CA (0.52) PIK3CAMTORRPTORMLST8PIK3CD
SCHEMBL3088132 0.84 PIK3CA (0.50) PIK3CAMTORRPTORMLST8PIK3CD
SCHEMBL8213979 0.80 PIK3CA (0.55) PIK3CAMTORRPTORMLST8PIK3CD
SCHEMBL8097550 0.75 PIK3CA (0.55) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL4257169 0.71 PIK3CA (0.55) PIK3CAMTORRPTORMLST8PIK3CD
SCHEMBL8092747 0.69 PIK3CA (0.51) PIK3CAMTORPIK3CDATRATRIP
SCHEMBL9978862 0.68 ATR (0.42) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL9979049 0.68 ATR (0.42) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL9979071 0.68 ATR (0.42) PIK3CAMTORPIK3CDPIK3R1PIK3CB
SCHEMBL9979416 0.68 ATR (0.42) PIK3CAMTORPIK3CDPIK3R1PIK3CB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023159-A1 MORPHOLINO PYRIMIDINE DERIVATIVES USEFUL IN THE TREATMENT OF PROLIFERATIVE DISORDERS ASTRAZENECA AB (SE) 2008-02-28 — — WO disclosed
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