SCHEMBL322971

SCHEMBL322971

COc1ccc(-c2ncnc3ccc(-c4ccc(OC(N)=O)nc4)cc23)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 13/20 0.60
PIK3CA P42336 12/20 0.60
PIK3CB P42338 12/20 0.60
PIK3CG P48736 11/20 0.60
MTOR P42345 1/20 0.60
KCNH2 Q12809 3/20 0.53
KIT P10721 2/20 0.44
BRAF P15056 2/20 0.44
CLK4 Q9HAZ1 1/20 0.42
ENPP1 P22413 1/20 0.42
RAF1 P04049 1/20 0.41
CHEK1 O14757 1/20 0.41
CHEK2 O96017 1/20 0.41

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
SCHEMBL182967 0.88 PIK3CA (0.68) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183550 0.85 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182818 0.84 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182713 0.84 PIK3CA (0.66) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL324075 0.84 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182771 0.82 PIK3CD (0.73) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183062 0.81 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL183145 0.81 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182536 0.81 PIK3CA (0.60) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL182495 0.80 PIK3CA (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