SCHEMBL1939012

SCHEMBL1939012

Cc1nc(NC(=O)O)sc1-c1ccnc(C(C)(C)C#N)c1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 17/20 0.58
▸ PIK3CA P42336 16/20 0.58
▸ PIK3CG P48736 15/20 0.58
▸ PIK3CB P42338 13/20 0.58
▸ PI4KB Q9UBF8 2/20 0.47
▸ GAK O14976 1/20 0.47
▸ PRKACG P22612 1/20 0.47
▸ PIK3R1 P27986 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PIK3C3 Q8NEB9 2/20 0.42
▸ PIK3C2A O00443 1/20 0.42
▸ PIK3C2B O00750 1/20 0.42
▸ PI4KA P42356 1/20 0.42
▸ PRKDC P78527 1/20 0.42

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
SCHEMBL3490009 0.89 PIK3CA (0.53) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1938991 0.81 PIK3CD (0.56) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL571448 0.79 PIK3CG (0.71) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL1939184 0.76 PIK3CA (0.69) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL15803671 0.76 PIK3CA (0.64) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL18618620 0.73 PIK3CA (0.59) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL18616748 0.72 PIK3CA (0.61) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL18113905 0.72 RAF1 (0.38) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL3490772 0.72 PIK3CA (0.53) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL571452 0.72 PIK3CA (0.69) 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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