SCHEMBL8107935

SCHEMBL8107935

Nc1ncc(-c2ccc3nccc(-c4ccncc4)c3c2)cc1S(=O)(=O)NCCCNCCCC=O

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 13/20 0.62
AKT1 P31749 3/20 0.62
MTOR P42345 3/20 0.44
PIK3C3 Q8NEB9 6/20 0.44
PIK3CD O00329 2/20 0.44
PIK3CB P42338 2/20 0.44
PIK3CG P48736 2/20 0.44
MAPK10 P53779 1/20 0.38
PIK3R1 P27986 1/20 0.37
PRKDC P78527 1/20 0.37
PDE4D Q08499 1/20 0.37
RICTOR Q6R327 1/20 0.37
RPTOR Q8N122 1/20 0.37
PIP4K2C Q8TBX8 1/20 0.37
MAPKAP1 Q9BPZ7 1/20 0.37
MLST8 Q9BVC4 1/20 0.37
IRAK3 Q9Y616 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
SCHEMBL729989 0.88 PIK3CA (0.68) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL730319 0.86 PIK3CA (0.72) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL729558 0.86 PIK3CA (0.71) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL732174 0.83 PIK3CA (0.72) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL731322 0.82 PIK3CA (0.66) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL731305 0.82 PIK3CA (0.61) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL729900 0.82 PIK3CA (0.71) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL729947 0.81 PIK3CA (0.64) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL729822 0.80 PIK3CA (0.77) PIK3CAAKT1MTORPIK3C3PIK3CD
SCHEMBL729300 0.80 PIK3CA (0.67) PIK3CAAKT1MTORPIK3C3PIK3CD

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