SCHEMBL2734452

SCHEMBL2734452

CCOCCN(CCOCC)C(=O)CCCC#Cc1cccc2nc(Cn3nc(-c4cccc(O)c4)c4c(N)ncnc43)n(Cc3ccccc3Cl)c(=O)c12

nearest known ligand 0.92

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 18/20 0.92
▸ PIK3CG P48736 15/20 0.92
▸ PIK3CA P42336 4/20 0.92
▸ PIK3CB P42338 3/20 0.92
▸ PIK3R1 P27986 7/20 0.70
▸ ABL1 P00519 1/20 0.47
▸ SRC P12931 1/20 0.47
▸ MTOR P42345 1/20 0.47
▸ PRKDC P78527 1/20 0.47

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
SCHEMBL29369878 0.96 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL2731875 0.96 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL29746153 0.96 PIK3CD (1.00) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
Hydrochloric Acid SCHEMBL15226244 0.95 PIK3CD (0.99) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
Bromide SCHEMBL15226533 0.95 PIK3CD (0.99) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL19271671 0.95 PIK3CD (0.96) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL19313983 0.91 PIK3CD (0.90) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL31655834 0.90 PIK3CD (0.90) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL11909221 0.90 PIK3CD (0.90) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1
SCHEMBL15226457 0.90 PIK3CD (0.88) PIK3CDPIK3CGPIK3CAPIK3CBPIK3R1

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-2630149-A1 QUINAZOLIN-4 (3H) -ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS Respivert Limited (GB) 2013-08-28 — — EP disclosed
WO-2012052753-A1 QUINAZOLIN-4 (3H) -ONE DERIVATIVES USED AS PI3 KINASE INHIBITORS RESPIVERT LIMITED (GB) 2012-04-26 — — WO disclosed
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