Sugi Predict

Sugi Predict / Compounds / SCHEMBL168200

SCHEMBL168200

SCHEMBL168200

CCCCOC(=O)N1CCN([C@H](C)c2cnc(Nc3cnc(OC)c(F)c3)c(-c3nc(C)nc(N(Cc4ccc(OC)cc4)Cc4ccc(OC)cc4)n3)c2)C(C)C1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 20/20 0.55
▸ PIK3R1 P27986 9/20 0.55
▸ PIK3CD O00329 6/20 0.55
▸ PIK3CB P42338 6/20 0.55
▸ PIK3CG P48736 6/20 0.55
▸ MTOR P42345 4/20 0.46

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
SCHEMBL176687 0.92 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL3118970 0.92 PIK3CA (0.58) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL168240 0.91 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL168731 0.91 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL168021 0.91 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL167622 0.91 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL167621 0.91 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL116243 0.91 PIK3CA (0.55) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL3105889 0.86 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG
SCHEMBL167297 0.86 PIK3CA (0.74) PIK3CAPIK3R1PIK3CDPIK3CBPIK3CG

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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 — — EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 — — WO disclosed