SCHEMBL21301537

SCHEMBL21301537

Cc1nc(NC(=O)CCC(N)CC(=O)OC(C)(C)C)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.53
▸ PIK3CG P48736 13/20 0.53
▸ PIK3CA P42336 9/20 0.53
▸ PIK3CB P42338 8/20 0.53
▸ PI4KB Q9UBF8 8/20 0.47
▸ PIK3C3 Q8NEB9 3/20 0.47
▸ PIK3C2A O00443 1/20 0.47
▸ PIK3C2B O00750 1/20 0.47
▸ PI4KA P42356 1/20 0.47
▸ PRKDC P78527 1/20 0.47

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
SCHEMBL4233323 0.89 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4233326 0.89 PIK3CD (0.52) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4222907 0.84 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4222887 0.84 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4232065 0.83 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL4232068 0.83 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL8257887 0.83 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL5345271 0.83 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL21301608 0.82 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL27723794 0.81 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3530290-A1 ALPHA AMINOACID ESTER-DRUG CONJUGATES HYDROLYSABLE BY CARBOXYLESTERASE GlaxoSmithKline Intellectual Property Development Limited (GB) 2019-08-28 — — EP disclosed
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