SCHEMBL28895304

SCHEMBL28895304

CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3cnc(Cl)cc23)C1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.66
PIK3CA P42336 4/20 0.58
IRAK4 Q9NWZ3 1/20 0.51
BTK Q06187 1/20 0.51
GPR119 Q8TDV5 2/20 0.49
PIK3CB P42338 1/20 0.49
PIK3CG P48736 1/20 0.49
ADORA1 P30542 1/20 0.48
NSD2 O96028 1/20 0.46
USP30 Q70CQ3 1/20 0.46
CNR1 P21554 1/20 0.45

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
SCHEMBL28981064 0.84 PIK3CD (0.71) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL28048039 0.84 PIK3CD (0.71) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL28047985 0.84 PIK3CD (0.71) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL29002882 0.82 MEN1 (0.61) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL28895326 0.82 MEN1 (0.61) PIK3CDPIK3CAIRAK4BTKGPR119
SCHEMBL691456 0.81 GPR119 (0.51) PIK3CDPIK3CABTKGPR119ADORA1
SCHEMBL23301762 0.80 USP30 (0.49) PIK3CDPIK3CABTKUSP30CNR1
SCHEMBL28636898 0.80 USP30 (0.49) PIK3CDPIK3CABTKUSP30CNR1
SCHEMBL32686433 0.80 PIK3CD (0.47) PIK3CDPIK3CABTKUSP30CNR1
SCHEMBL29894214 0.80 USP30 (0.49) PIK3CDPIK3CABTKUSP30CNR1

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
CN-114315826-B Pyridopyrimidine compound and application thereof 西安交通大学 2023-05-16 CN disclosed
CN-114315826-A Pyridopyrimidine compound and application thereof 西安交通大学 2022-04-12 CN disclosed