SCHEMBL182926

SCHEMBL182926

COc1ccc(-c2ncnc3ccc(-c4ccc(NCC(C)C)nc4)cc23)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.58
PIK3CD O00329 5/20 0.58
PIK3CB P42338 5/20 0.58
PIK3CG P48736 5/20 0.58
MTOR P42345 1/20 0.58
PDE10A Q9Y233 1/20 0.54
ENPP1 P22413 2/20 0.50
CLK4 Q9HAZ1 1/20 0.48
KCNH2 Q12809 1/20 0.45
FYN P06241 1/20 0.43
MAP4K4 O95819 1/20 0.43
EGFR P00533 1/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
KIT P10721 4/20 0.40
MAPK1 P28482 2/20 0.40
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40

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
SCHEMBL182825 0.86 PIK3CA (0.65) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182722 0.86 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL183107 0.86 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182771 0.81 PIK3CD (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182967 0.79 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182818 0.78 PIK3CD (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182824 0.78 PIK3CD (0.63) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182889 0.77 PIK3CD (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182537 0.77 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182951 0.77 PIK3CD (0.64) PIK3CAPIK3CDPIK3CBPIK3CGMTOR

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-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP claimed
EP-2049502-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS Novartis AG (CH) 2009-04-22 EP claimed
WO-2008012326-A1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2008-01-31 WO claimed
EP-2049502-B1 2,4-SUBSTITUTED QUINAZOLINES AS LIPID KINASE INHIBITORS NOVARTIS AG (CH) 2012-01-04 EP disclosed