SCHEMBL115563

SCHEMBL115563

COc1ccc(Nc2ncc(N3CC[C@H](O)C3I)cc2-c2nc(C)nc3[nH]cnc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.61
MTOR P42345 14/20 0.61

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
SCHEMBL114681 0.85 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL115503 0.85 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL114758 0.85 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL113915 0.85 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL114182 0.85 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL113913 0.85 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL115003 0.83 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL7770494 0.82 PIK3CA (0.80) PIK3CAMTOR
SCHEMBL115496 0.79 PIK3CA (0.81) PIK3CAMTOR
SCHEMBL115526 0.79 PIK3CA (0.77) 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 claimed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO claimed