SCHEMBL7875313

SCHEMBL7875313

Bc1ccc2ncc3c(c2c1)n(-c1ccc(C(C)(C)O)nc1C)c(=O)n3C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.43
MTOR P42345 12/20 0.43
PIK3CD O00329 9/20 0.43
PIK3CG P48736 9/20 0.43
PIK3CB P42338 8/20 0.43
ATM Q13315 7/20 0.39
PRKDC P78527 5/20 0.39
ATR Q13535 3/20 0.39
PIK3C3 Q8NEB9 2/20 0.39
PIK3C2A O00443 2/20 0.39
PIK3C2B O00750 2/20 0.39
CHEK1 O14757 1/20 0.39
ABCB11 O95342 1/20 0.39
CSF1R P07333 1/20 0.39
MET P08581 1/20 0.39
PIK3R1 P27986 1/20 0.39
LTK P29376 1/20 0.39
CDK7 P50613 1/20 0.39
NEK2 P51955 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL7878794 0.89 MTOR (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL3514851 0.88 PIK3CA (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL7870203 0.86 MTOR (0.47) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL7875289 0.84 MTOR (0.45) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL7878805 0.83 MTOR (0.47) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2068151 0.83 MTOR (0.47) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2068130 0.81 ATM (0.49) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL2068300 0.81 MTOR (0.45) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL7870074 0.81 PIK3CA (0.48) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL7878044 0.80 MTOR (0.43) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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-2010139747-A1 1H-IMIDAZO[4, 5-c]QUINOLINONE COMPOUNDS, USEFUL FOR THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2010-12-09 WO disclosed