SCHEMBL3433174

SCHEMBL3433174

CCn1nnc2c(N3CCOCC3)nc(-c3ccc(N(OC)C(=O)OC(C)(C)C)cc3)nc21

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.61
PIK3CA P42336 19/20 0.61
PIK3CG P48736 19/20 0.61
PIK3CD O00329 1/20 0.54
PIK3CB P42338 1/20 0.54

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
SCHEMBL3430429 0.78 MTOR (0.60) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3427314 0.76 PIK3CA (0.67) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3426942 0.76 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3430374 0.75 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3427575 0.74 PIK3CA (0.72) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3427154 0.74 PIK3CA (1.00) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3405317 0.74 PIK3CA (0.58) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3405407 0.74 PIK3CA (0.85) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3402035 0.74 PIK3CA (0.85) MTORPIK3CAPIK3CGPIK3CDPIK3CB
SCHEMBL3428495 0.73 PIK3CA (0.79) MTORPIK3CAPIK3CGPIK3CDPIK3CB

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-2252296-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES Wyeth LLC (US) 2010-11-24 EP disclosed
WO-2009091788-A1 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE COMPOUNDS, THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES WYETH (US) 2009-07-23 WO disclosed