SCHEMBL16613152

SCHEMBL16613152

Cc1nc([AsH2])nc(-c2cc(C(C)N3CCOCC3)cnc2Nc2ccc3scnc3c2)n1

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.83
MTOR P42345 16/20 0.83

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
SCHEMBL168197 0.91 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL166440 0.79 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL166968 0.77 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL166336 0.74 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL164808 0.74 PIK3CA (0.59) PIK3CAMTOR
SCHEMBL165833 0.74 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL165832 0.74 PIK3CA (0.76) PIK3CAMTOR
SCHEMBL115448 0.72 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL165621 0.72 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL166557 0.69 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 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 disclosed