SCHEMBL183122

SCHEMBL183122

COCC(N)c1ccc(-c2ccc3ncnc(-c4ccc(OC)c(OC)c4)c3c2)cn1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.58
PIK3CD O00329 8/20 0.58
PIK3CB P42338 8/20 0.58
PIK3CG P48736 8/20 0.58
MTOR P42345 2/20 0.58
KCNH2 Q12809 2/20 0.45
CLK4 Q9HAZ1 1/20 0.43
KIT P10721 3/20 0.43
ENPP1 P22413 2/20 0.41
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
PDGFRB P09619 1/20 0.39
PDGFRA P16234 1/20 0.39
FYN P06241 1/20 0.38
EGFR P00533 1/20 0.38
ROCK2 O75116 1/20 0.37
MAP4K4 O95819 1/20 0.37

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
SCHEMBL182824 0.82 PIK3CD (0.63) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182771 0.81 PIK3CD (0.73) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182818 0.80 PIK3CD (0.67) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182667 0.79 PIK3CD (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182809 0.79 PIK3CD (0.61) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182967 0.79 PIK3CA (0.68) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182424 0.78 PIK3CD (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182873 0.78 PIK3CD (0.60) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL183107 0.78 PIK3CD (0.58) PIK3CAPIK3CDPIK3CBPIK3CGMTOR
SCHEMBL182931 0.77 PIK3CD (0.59) 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 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