SCHEMBL14747993

SCHEMBL14747993

CC(=O)Nc1nc2ccc(-c3ccnc(CCc4ccncc4)n3)cc2s1

nearest known ligand 0.85

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 0.85
MTOR P42345 3/20 0.63
AKT1 P31749 1/20 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
SCHEMBL8090821 0.94 PIK3CA (0.81) PIK3CAMTORAKT1
SCHEMBL1619559 0.92 PIK3CA (1.00) PIK3CAMTORAKT1
SCHEMBL14747992 0.90 PIK3CA (0.82) PIK3CAMTOR
SCHEMBL14747995 0.89 PIK3CA (0.79) PIK3CAMTORAKT1
SCHEMBL1621183 0.88 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1621352 0.86 PIK3CA (1.00) PIK3CAMTOR
SCHEMBL1619564 0.86 PIK3CA (0.89) PIK3CAMTORAKT1
SCHEMBL14747994 0.86 PIK3CA (0.78) PIK3CAMTOR
SCHEMBL8089142 0.84 PIK3CA (0.81) PIK3CAMTORAKT1
SCHEMBL1620365 0.83 PIK3CA (1.00) PIK3CAMTORAKT1

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-2183232-B1 PI3 KINASE MODULATORS AND METHODS OF USE AMGEN INC (US) 2013-03-06 EP disclosed