SCHEMBL324075

SCHEMBL324075

COc1ccc(-c2ccc3ncnc(-c4ccc(-c5ccc(OC(N)=O)cc5)cc4)c3c2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 9/20 0.54
PIK3CA P42336 9/20 0.54
PIK3CB P42338 9/20 0.54
PIK3CG P48736 9/20 0.54
MTOR P42345 1/20 0.54
KCNH2 Q12809 1/20 0.53
MAP4K4 O95819 2/20 0.49
BRAF P15056 3/20 0.46
CLK4 Q9HAZ1 2/20 0.44
KIT P10721 3/20 0.44
HSD17B10 Q99714 2/20 0.43
USP2 O75604 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
RAF1 P04049 2/20 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
SCHEMBL183026 0.87 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182889 0.87 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183174 0.86 PIK3CA (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182397 0.85 PIK3CD (0.63) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182495 0.85 PIK3CA (0.58) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182536 0.84 PIK3CA (0.60) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL322971 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182955 0.83 PIK3CD (0.61) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182771 0.83 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183208 0.82 PIK3CD (0.58) 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 1 patent. 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