SCHEMBL3652124

SCHEMBL3652124

O=C(O)Nc1ccc(-c2nc(N3C4CCC3COC4)c3cnn(CC(F)(F)F)c3n2)cc1

nearest known ligand 0.83

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.83
MTOR P42345 20/20 0.83
PIK3CD O00329 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
SCHEMBL55630 0.91 PIK3CA (1.00) PIK3CAMTORPIK3CD
SCHEMBL55665 0.90 PIK3CA (0.84) PIK3CAMTORPIK3CD
SCHEMBL56248 0.89 PIK3CA (0.82) PIK3CAMTORPIK3CD
SCHEMBL56493 0.89 PIK3CA (0.76) PIK3CAMTORPIK3CD
SCHEMBL3661056 0.89 PIK3CA (0.68) PIK3CAMTOR
SCHEMBL55337 0.88 PIK3CA (0.80) PIK3CAMTORPIK3CD
SCHEMBL54915 0.88 PIK3CA (0.94) PIK3CAMTORPIK3CD
SCHEMBL56336 0.87 PIK3CA (0.79) PIK3CAMTORPIK3CD
SCHEMBL54780 0.87 PIK3CA (0.79) PIK3CAMTORPIK3CD
SCHEMBL55658 0.87 PIK3CA (1.00) PIK3CAMTOR

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 disclosed
WO-2009052145-A1 THIENOPYRIMIDINE AND PYRAZOLOPYRIMIDINE COMPOUNDS AND THEIR USE AS MTOR KINASE AND PI3 KINASE INHIBITORS WYETH (US) 2009-04-23 WO disclosed