Sugi Predict

Sugi Predict / Compounds / SCHEMBL752617

SCHEMBL752617

SCHEMBL752617

COc1ncc(Nc2nc3ccc(CC=O)cn3c2-c2cc(N)nc(C)n2)cc1F.COc1ncc(Nc2nc3ccc(N4CCN(C(=O)N(C)C)CC4)nn3c2-c2cc(N)nc(C)n2)cc1F

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.59
▸ MTOR P42345 9/20 0.59
▸ PIK3CD O00329 1/20 0.42
▸ PIK3CB P42338 1/20 0.42
▸ PIK3CG P48736 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
SCHEMBL11028807 0.91 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL752003 0.85 PIK3CA (0.80) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL755598 0.74 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL11030652 0.74 PIK3CA (0.58) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL757233 0.74 PIK3CA (0.39) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL751579 0.71 PIK3CA (0.77) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL751725 0.70 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL116104 0.67 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL750936 0.67 PIK3CA (0.50) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL2771989 0.67 PIK3CA (0.51) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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-2430013-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS Amgen, Inc (US) 2012-03-21 — — EP claimed
WO-2010132598-A1 HETEROARYL COMPOUNDS AS PIKK INHIBITORS AMGEN INC. (US) 2010-11-18 — — WO claimed