SCHEMBL14385494

SCHEMBL14385494

Cc1nc(NC(=O)C[C@H](NC2CCCCC2)C(=O)O)sc1-c1ccc(Cl)c(S(C)(=O)=O)c1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.53
▸ PIK3CG P48736 8/20 0.53
▸ PI4KB Q9UBF8 12/20 0.53
▸ PIK3CA P42336 4/20 0.50
▸ PIK3CB P42338 2/20 0.50
▸ 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
▸ PIK3C2G O75747 1/20 0.46

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
SCHEMBL14385619 0.92 PIK3CD (0.52) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385427 0.90 PIK3CD (0.50) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385602 0.84 PIK3CD (0.49) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385610 0.82 PIK3CD (0.57) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL3178482 0.81 PIK3CD (0.53) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385578 0.81 PIK3CD (0.53) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL48484 0.79 PI4KB (0.60) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL14385489 0.79 PIK3CD (0.47) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL3171212 0.79 PI4KB (0.48) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB
SCHEMBL3171201 0.79 PI4KB (0.48) PIK3CDPIK3CGPI4KBPIK3CAPIK3CB

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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