SCHEMBL19303593

SCHEMBL19303593

COc1ccc(-c2sc(NC(=O)CC3CCOCC3)nc2C)cc1[S+]([O-])Nc1ccc(O)cc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PIK3C2G O75747 10/20 0.70
▸ PIK3CG P48736 6/20 0.61
▸ PIK3CA P42336 5/20 0.61
▸ PI4KB Q9UBF8 11/20 0.58
▸ PIK3CD O00329 2/20 0.48

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
SCHEMBL22218931 0.89 PIK3C2G (0.72) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17889559 0.83 PIK3C2G (1.00) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL22336673 0.81 PIK3CD (0.67) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL22218939 0.79 PIK3C2G (0.64) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17889629 0.77 PIK3C2G (0.86) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17889529 0.77 PI4KB (0.88) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17889591 0.77 PIK3C2G (1.00) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17889590 0.76 PIK3C2G (0.87) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17904324 0.76 PIK3C2G (0.83) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD
SCHEMBL17906227 0.76 PIK3C2G (1.00) PIK3C2GPIK3CGPIK3CAPI4KBPIK3CD

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
WO-2020146657-A1 PI4-KINASE INHIBITORS WITH ANTI-CANCER ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2020-07-16 — — WO disclosed
WO-2017147526-A1 PI-KINASE INHIBITORS WITH ANTI-INFECTIVE ACTIVITY THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY (US) 2017-08-31 — — WO disclosed
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