SCHEMBL4755159

SCHEMBL4755159

O=c1cc[nH]c2ncc(-c3ccc4nccc(-c5ccncc5)c4c3)cc12

nearest known ligand 0.63

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.63
AKT1 P31749 3/20 0.63
PIK3CD O00329 2/20 0.50
PIK3CB P42338 2/20 0.50
PIK3CG P48736 2/20 0.50
MTOR P42345 2/20 0.50
PIK3C3 Q8NEB9 1/20 0.50
NTRK1 P04629 3/20 0.47
SLC2A1 P11166 1/20 0.45
PRKCI P41743 1/20 0.44
NUDT1 P36639 1/20 0.44

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
SCHEMBL729992 0.86 PIK3CA (0.72) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL4754329 0.84 PIK3CA (0.55) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL731971 0.84 PIK3CA (0.63) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL730230 0.81 CCNK (0.63) PIK3CAAKT1PRKCINUDT1
SCHEMBL732238 0.81 PIK3CA (0.65) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL14795050 0.81 PIK3CA (0.51) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL14795051 0.81 PIK3CA (0.51) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL731887 0.80 PIK3CA (0.60) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL742894 0.80 PIK3CA (0.67) PIK3CAAKT1PIK3CDPIK3CBPIK3CG
SCHEMBL731318 0.79 PIK3CA (0.63) PIK3CAAKT1PIK3CDPIK3CBPIK3CG

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
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed