Sugi Predict

Sugi Predict / Compounds / SCHEMBL8215499

SCHEMBL8215499

SCHEMBL8215499

C=S(=O)(C1CCCC1)C(C)(C)c1cc(N2CCOC[C@@H]2C)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 19/20 0.58
▸ PIK3CD O00329 9/20 0.58
▸ MTOR P42345 4/20 0.46
▸ PIK3CB P42338 2/20 0.44
▸ PIK3CG P48736 2/20 0.44
▸ ATR Q13535 1/20 0.42

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
SCHEMBL3599569 0.94 PIK3CA (0.60) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3602727 0.94 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3599055 0.91 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL8217538 0.90 PIK3CA (0.65) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3588303 0.90 PIK3CA (0.63) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13257089 0.90 PIK3CA (0.72) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3594747 0.88 PIK3CA (0.61) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL13283528 0.88 PIK3CA (0.65) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3591174 0.88 PIK3CA (0.65) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL3606393 0.86 PIK3CA (0.59) PIK3CAPIK3CDMTORPIK3CBPIK3CG

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