SCHEMBL28047985

SCHEMBL28047985

CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3ccc(Br)cc23)C1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.71
PIK3CA P42336 4/20 0.62
IRAK4 Q9NWZ3 4/20 0.58
BTK Q06187 1/20 0.54
PIK3CB P42338 1/20 0.53
PIK3CG P48736 1/20 0.53
USP30 Q70CQ3 1/20 0.52
GPR119 Q8TDV5 2/20 0.49

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
SCHEMBL28048039 1.00 PIK3CD (0.71) PIK3CDPIK3CAIRAK4BTKPIK3CB
SCHEMBL28981064 1.00 PIK3CD (0.71) PIK3CDPIK3CAIRAK4BTKPIK3CB
SCHEMBL31029626 0.94 IRAK4 (0.65) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL30902132 0.94 IRAK4 (0.65) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL26813748 0.86 IRAK4 (0.78) PIK3CDIRAK4
SCHEMBL21996896 0.86 IRAK4 (0.78) PIK3CDIRAK4
SCHEMBL28895304 0.84 PIK3CD (0.66) PIK3CDPIK3CAIRAK4BTKPIK3CB
SCHEMBL16748148 0.84 PIK3CD (0.54) PIK3CDPIK3CAIRAK4BTKPIK3CB
SCHEMBL16748147 0.84 PIK3CD (0.54) PIK3CDPIK3CAIRAK4BTKPIK3CB
SCHEMBL16748284 0.84 PIK3CD (0.54) PIK3CDPIK3CAIRAK4BTKPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115894451-B Selenium-containing PI3K delta inhibitor and application thereof in diseases caused by PI3K delta overexpression and medicines 西安爱思益生物科技有限公司 2024-07-09 CN disclosed
CN-115894451-A Selenium-containing PI3K delta inhibitor, application thereof in diseases caused by PI3K delta overexpression and medicine 西安爱思益生物科技有限公司 2023-04-04 CN disclosed
CN-105237484-B The quinolines and its application that a kind of 6- aryl replaces 西安交通大学 2018-12-07 CN disclosed
CN-105237484-A 6-aryl substituted quinoline compounds and applications thereof UNIV XI AN JIAOTONG 2016-01-13 CN disclosed