SCHEMBL1938991

SCHEMBL1938991

Cc1nc(NC(=O)O)sc1-c1ccnc(C(C)(C)CN(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 14/20 0.56
▸ PIK3CA P42336 13/20 0.56
▸ PIK3CG P48736 12/20 0.56
▸ PIK3CB P42338 9/20 0.56
▸ PI4KB Q9UBF8 4/20 0.46
▸ GAK O14976 1/20 0.46
▸ PRKACG P22612 1/20 0.46
▸ PIK3R1 P27986 1/20 0.46
▸ MTOR P42345 1/20 0.46
▸ PIK3C3 Q8NEB9 2/20 0.43
▸ PIK3C2A O00443 1/20 0.43
▸ PIK3C2B O00750 1/20 0.43
▸ PI4KA P42356 1/20 0.43
▸ PRKDC P78527 1/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.41

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
SCHEMBL3490628 0.89 PIK3CA (0.52) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1939012 0.81 PIK3CD (0.58) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL11938382 0.80 PIK3CA (0.81) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1939295 0.80 PIK3CG (0.39) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL571448 0.78 PIK3CG (0.71) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL3490772 0.76 PIK3CA (0.53) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL15803671 0.74 PIK3CA (0.64) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL27978456 0.73 VHL (0.35) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL24023233 0.72 PIK3CA (0.49) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL18616748 0.70 PIK3CA (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB

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
EP-2331537-A1 ORGANIC COMPOUNDS Novartis AG (CH) 2011-06-15 — — EP disclosed
WO-2010029082-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-03-18 — — WO disclosed
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