SCHEMBL4435771

SCHEMBL4435771

O=C(O)C1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.51
PIK3CD O00329 17/20 0.51
PIK3CB P42338 15/20 0.51
PIK3CG P48736 15/20 0.51
PIK3R1 P27986 2/20 0.51

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
SCHEMBL1087769 0.91 PIK3CA (0.53) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1089016 0.89 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088337 0.89 PIK3CD (0.55) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1865372 0.88 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088049 0.86 PIK3CA (0.58) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1088461 0.86 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL2943000 0.86 PIK3CA (0.55) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL390035 0.85 PIK3CD (0.53) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL1087908 0.84 PIK3CA (0.50) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1
SCHEMBL3622005 0.84 PIK3CA (0.56) PIK3CAPIK3CDPIK3CBPIK3CGPIK3R1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2518074-B1 Phosphoinositide 3-kinase inhibitor compounds and methods of use HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2518074-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use F. Hoffmann-La Roche AG (CH) 2012-10-31 EP disclosed
EP-2114949-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2009-11-11 EP disclosed
WO-2008070740-A1 PHOSPHOINOSITIDE 3-KINASE INHIBITOR COMPOUNDS AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2008-06-12 WO disclosed