SCHEMBL114801

SCHEMBL114801

CSc1cc(-c2cc(CCN3CCOCC3)cnc2Nc2cnc(Cl)c(NS(=O)(=O)NN(C)C)c2)nc(C)n1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.54
MTOR P42345 17/20 0.53

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
SCHEMBL114978 0.90 PIK3CA (0.60) PIK3CAMTOR
SCHEMBL114999 0.90 PIK3CA (0.56) PIK3CAMTOR
SCHEMBL3111470 0.84 PIK3CA (0.69) PIK3CAMTOR
SCHEMBL113476 0.75 PIK3CA (0.64) PIK3CAMTOR
SCHEMBL116972 0.74 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL3106178 0.74 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL115700 0.74 PIK3CA (0.63) PIK3CAMTOR
SCHEMBL118074 0.73 PIK3CA (0.36) PIK3CAMTOR
SCHEMBL168252 0.70 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL167274 0.70 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-2424859-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR Amgen, Inc (US) 2012-03-07 EP disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed