SCHEMBL14385585

SCHEMBL14385585

CC(=O)N[C@@H](CC(C)(C)CC(C)(C)C(=O)Nc1nc(C)c(-c2ccc(Cl)c(S(C)(=O)=O)c2)s1)C(=O)OC1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 13/20 0.47
▸ PIK3CG P48736 12/20 0.47
▸ PIK3CA P42336 7/20 0.47
▸ PIK3CB P42338 6/20 0.47
▸ PI4KB Q9UBF8 8/20 0.45
▸ PIK3C3 Q8NEB9 4/20 0.45
▸ PIK3C2A O00443 1/20 0.45
▸ PIK3C2B O00750 1/20 0.45
▸ PI4KA P42356 1/20 0.45
▸ PRKDC P78527 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
SCHEMBL14385489 0.91 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL14385564 0.89 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL3174782 0.82 PIK3CD (0.54) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL3175143 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL13525523 0.81 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL3168520 0.80 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL3176947 0.79 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL14385578 0.79 PIK3CD (0.53) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL3176941 0.79 PIK3CD (0.49) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL14385427 0.79 PIK3CD (0.50) 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
WO-2007129005-A1 AMINOACID DERIVATIVES OF THIAZOLES AS INHIBITORS OF PI3 KINASE CHROMA THERAPEUTICS LTD. (GB) 2007-11-15 — — WO disclosed
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