SCHEMBL3657124

SCHEMBL3657124

[c]1ccc(-c2nc(N3CC4CCC(C3)O4)c3cnn(C4CCC5(CC4)OCCO5)c3n2)cc1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.70
MTOR P42345 20/20 0.70
PIK3CD O00329 1/20 0.70
PIK3R1 P27986 1/20 0.70
SMG1 Q96Q15 1/20 0.70
PIK3CB P42338 1/20 0.49

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
SCHEMBL54445 0.89 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL3659164 0.85 PIK3CA (0.69) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL3656780 0.85 PIK3CA (0.87) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL3657075 0.84 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL55058 0.84 PIK3CA (0.75) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL55078 0.83 PIK3CA (0.67) PIK3CAMTORPIK3CDPIK3R1SMG1
Methyl Alcohol SCHEMBL3658444 0.83 PIK3CA (0.84) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL54355 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL55349 0.83 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3R1SMG1
SCHEMBL54821 0.83 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3R1SMG1

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-2212333-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS Wyeth LLC (US) 2010-08-04 EP claimed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO claimed