SCHEMBL4257169

SCHEMBL4257169

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

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 9/20 0.55
▸ PIK3CD O00329 4/20 0.55
▸ MTOR P42345 7/20 0.52
▸ ATR Q13535 12/20 0.45
▸ PDCD1 Q15116 12/20 0.45
▸ CD274 Q9NZQ7 12/20 0.45
▸ CHEK1 O14757 11/20 0.45
▸ ATRIP Q8WXE1 11/20 0.45
▸ RPTOR Q8N122 1/20 0.42
▸ MLST8 Q9BVC4 1/20 0.42
▸ ATM Q13315 1/20 0.41

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
SCHEMBL3080008 0.85 PIK3CA (0.60) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3077731 0.84 PIK3CA (0.52) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3089721 0.83 PIK3CA (0.60) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3088132 0.82 PIK3CA (0.50) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3597852 0.80 PIK3CA (0.53) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3598283 0.80 PIK3CA (0.58) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3597091 0.79 PIK3CA (0.71) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3592490 0.79 PIK3CA (0.69) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3594238 0.79 PIK3CA (0.56) PIK3CAPIK3CDMTORATRPDCD1
SCHEMBL3591063 0.78 PIK3CA (0.56) PIK3CAPIK3CDMTORATRPDCD1

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
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