SCHEMBL5615219

SCHEMBL5615219

COc1ccc(-n2c(=O)n(C)c3cnc4ccc(C#Cc5cccnc5)cc4c32)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.73
PIK3CA P42336 9/20 0.73
PIK3CG P48736 8/20 0.73
PIK3CB P42338 7/20 0.73
AKT1 P31749 6/20 0.73
MTOR P42345 6/20 0.65
PDPK1 O15530 5/20 0.51
PIK3C2A O00443 2/20 0.44
PIK3C2B O00750 2/20 0.44
ATM Q13315 2/20 0.44
ATR Q13535 2/20 0.44
PRKDC P78527 2/20 0.44
CHEK1 O14757 1/20 0.44
ABCB11 O95342 1/20 0.44
CSF1R P07333 1/20 0.44
MET P08581 1/20 0.44
PIK3R1 P27986 1/20 0.44
LTK P29376 1/20 0.44
CDK7 P50613 1/20 0.44
NEK2 P51955 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
SCHEMBL5615215 0.92 PIK3CD (0.67) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5653651 0.92 PIK3CA (0.72) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5614520 0.89 PIK3CA (0.75) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5614674 0.88 PIK3CD (0.67) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5614860 0.87 PIK3CA (0.73) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5614652 0.87 PIK3CA (0.73) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5614339 0.85 PIK3CA (0.70) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5655178 0.84 PIK3CA (1.00) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL29703086 0.84 PIK3CA (1.00) PIK3CDPIK3CAPIK3CGPIK3CBAKT1
SCHEMBL5614493 0.84 PIK3CA (0.70) PIK3CDPIK3CAPIK3CGPIK3CBAKT1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2007511576-A 2007-05-10 JP claimed
EP-1689747-A1 1H-IMIDAZO [4,5-C] QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES Novartis AG (CH) 2006-08-16 EP claimed
WO-2005054238-A1 1H-IMIDAZO[4,5-C]QUINOLINE DERIVATIVES IN THE TREATMENT OF PROTEIN KINASE DEPENDENT DISEASES NOVARTIS AG (CH) 2005-06-16 WO claimed