SCHEMBL13075488

SCHEMBL13075488

CNc1cc(Nc2ncc(C(C)N3CCOCC3)cc2-c2nc(C)nc(N)n2)cnc1Cl

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.82
MTOR P42345 16/20 0.82

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
SCHEMBL13075489 1.00 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL13075424 1.00 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL166485 0.90 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL165989 0.90 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL165990 0.90 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL7776757 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL7777907 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL7772952 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL168074 0.87 PIK3CA (0.85) PIK3CAMTOR
SCHEMBL167695 0.87 PIK3CA (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed