SCHEMBL3660465

SCHEMBL3660465

CC(C)(C)n1ncc2c(N3CC4CCC(C3)O4)nc(-c3ccc(NC(=O)O)cc3)nc21

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.68
MTOR P42345 20/20 0.68

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
SCHEMBL56077 0.92 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL54937 0.91 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL3658146 0.90 PIK3CA (0.83) PIK3CAMTOR
SCHEMBL55387 0.90 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL3656994 0.90 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL57160 0.89 PIK3CA (0.79) PIK3CAMTOR
SCHEMBL55104 0.87 PIK3CA (0.67) PIK3CAMTOR
SCHEMBL55794 0.87 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL3653966 0.87 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL3659399 0.85 MTOR (0.85) 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