SCHEMBL28665362

SCHEMBL28665362

Cc1c(CN2CCN(C(=O)C(C)O)CC2)sc2c(C3CNCCO3)nc(-c3cnc(N)nc3)nc12

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.66
PIK3CD O00329 16/20 0.66
MTOR P42345 11/20 0.66
PIK3CB P42338 10/20 0.66
PIK3CG P48736 10/20 0.66
PIK3C2A O00443 1/20 0.66
PIK3C2B O00750 1/20 0.66
STK10 O94804 1/20 0.66
PAK4 O96013 1/20 0.66
ABL1 P00519 1/20 0.66
EGFR P00533 1/20 0.66
FGR P09769 1/20 0.66
FER P16591 1/20 0.66
PRKCA P17252 1/20 0.66
JAK1 P23458 1/20 0.66
TEC P42680 1/20 0.66
SYK P43405 1/20 0.66
PRKDC P78527 1/20 0.66
MAP3K9 P80192 1/20 0.66
BTK Q06187 1/20 0.66

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
Apitolisib SCHEMBL31270275 0.80 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL466298 0.80 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL29447291 0.80 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL466297 0.80 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
Apitolisib SCHEMBL1180678 0.80 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL29127748 0.78 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL29127750 0.78 PIK3CA (0.77) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1181037 0.74 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1182231 0.74 PIK3CA (1.00) PIK3CAPIK3CDMTORPIK3CBPIK3CG
SCHEMBL1181040 0.74 PIK3CA (1.00) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114901662-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2022-08-12 CN disclosed
CN-113767100-A Bicyclic heteroaryl compounds and uses thereof 锐新医药公司 2021-12-07 CN disclosed
CN-113727758-A Bicyclic heterocyclic compounds and use thereof 锐新医药公司 2021-11-30 CN disclosed