SCHEMBL182686

SCHEMBL182686

CCOc1ccc(-c2ccc3ncnc(-c4ccc(OC)c(OC)c4)c3c2)cc1OCC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.63
PIK3CA P42336 10/20 0.63
PIK3CB P42338 10/20 0.63
PIK3CG P48736 10/20 0.63
MTOR P42345 6/20 0.63
KCNH2 Q12809 1/20 0.53
CLK4 Q9HAZ1 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
KIT P10721 3/20 0.48
ENPP1 P22413 1/20 0.48
ABL1 P00519 5/20 0.46
EGFR P00533 5/20 0.46
HCK P08631 5/20 0.46
SRC P12931 5/20 0.46
KDR P35968 5/20 0.46
EPHB4 P54760 5/20 0.46
PRKDC P78527 5/20 0.46
PI4KB Q9UBF8 5/20 0.46
RAF1 P04049 1/20 0.43
BRAF P15056 1/20 0.43

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
SCHEMBL182747 1.00 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182951 0.99 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182537 0.99 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182852 0.99 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182771 0.91 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL4502927 0.88 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183173 0.87 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182628 0.86 MAPK1 (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182889 0.86 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182667 0.86 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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 6 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
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN 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
CN-101490016-A 2,4-substituted quinazolines as lipid kinase inhibitors NOVARTIS AG (CH) 2009-07-22 CN disclosed