SCHEMBL3801668

SCHEMBL3801668

CC(C)(C)OC(=O)N1CCN(c2cnc3ccc(-c4cccnc4NS(=O)(=O)c4ccccc4)cc3n2)C(=O)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CKS1B P61024 2/20 0.38
SKP1 P63208 2/20 0.38
SKP2 Q13309 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 3/20 0.38
MTOR P42345 3/20 0.38
PIK3CG P48736 3/20 0.38
NR1H2 P55055 1/20 0.37
ALOX5AP P20292 2/20 0.37
FEN1 P39748 2/20 0.37
TGFBR1 P36897 1/20 0.36
MCL1 Q07820 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL3087904 0.85 PIK3CG (0.42) CKS1BSKP1SKP2PIK3CAPIK3CB
SCHEMBL3085473 0.74 BACE1 (0.42) CKS1BSKP1SKP2NR1H2TBK1
SCHEMBL13706388 0.74 PIK3CA (0.43) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL3635690 0.74 PIK3CA (0.43) PIK3CAPIK3CBMTORPIK3CGGPR119
SCHEMBL3078390 0.73 CKS1B (0.51) CKS1BSKP1SKP2PIK3CAPIK3CB
SCHEMBL3085931 0.72 PIK3CG (0.68) CKS1BSKP1SKP2PIK3CAPIK3CB
SCHEMBL3092295 0.69 PIK3CG (0.45) CKS1BSKP1SKP2PIK3CAPIK3CB
SCHEMBL1583147 0.69 GPR119 (0.58) CKS1BSKP1SKP2ALDH1A1GPR119
SCHEMBL3091985 0.67 PIK3CG (0.47) PIK3CAPIK3CBMTORPIK3CGPIK3CD
SCHEMBL189681 0.65 MAPT (0.61) TGFBR1KDM4EALDH1A1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150255-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS Smithkline Beecham Corporation (US) 2010-02-10 EP disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 WO disclosed