SCHEMBL16612798

SCHEMBL16612798

Cc1nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2cnc(Cl)c(CN[SH](=O)=O)c2)c2nc[nH]c2n1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.60
MTOR P42345 15/20 0.60

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
SCHEMBL7778552 0.85 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL115699 0.85 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL16612760 0.84 PIK3CA (0.72) PIK3CAMTOR
SCHEMBL3104831 0.82 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL7777843 0.82 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL16613051 0.78 PIK3CA (0.53) PIK3CAMTOR
SCHEMBL3111883 0.72 PIK3CA (0.77) PIK3CAMTOR
SCHEMBL27879514 0.72 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL27879713 0.72 PIK3CA (0.65) PIK3CAMTOR
SCHEMBL27879674 0.72 PIK3CA (0.64) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP claimed