SCHEMBL633055

SCHEMBL633055

O=C1Cc2cc(-c3cn4cc(CN5CCN(C=S(=O)=O)CC5)nc4c(N4CCOCC4)n3)ccc2N1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 18/20 0.53
PIK3CA P42336 18/20 0.53
PIK3CD O00329 1/20 0.46
PIK3CB P42338 1/20 0.46
MTOR P42345 1/20 0.46
PIK3CG P48736 1/20 0.46
GRIA1 P42261 2/20 0.45

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
SCHEMBL15602952 0.87 PIK3R1 (0.55) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL632841 0.81 PIK3R1 (0.72) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL2724529 0.80 PIK3R1 (0.54) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL632497 0.80 PIK3R1 (0.74) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL631666 0.80 PIK3R1 (0.62) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL893447 0.79 PIK3CA (0.71) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL631803 0.79 PIK3R1 (0.74) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL633572 0.77 PIK3R1 (0.73) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL633447 0.77 PIK3R1 (0.75) PIK3R1PIK3CAPIK3CDPIK3CBMTOR
SCHEMBL3725448 0.76 PIK3R1 (0.74) PIK3R1PIK3CAPIK3CD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012052745-A1 COMBINATIONS OF PI3K INHIBITORS WITH A SECOND ANTI -TUMOR AGENT CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-04-26 WO disclosed
EP-2419429-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-02-22 EP disclosed
WO-2010119264-A1 IMIDAZOPYRAZINES FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCÓLOGICAS (CNIO) (ES) 2010-10-21 WO disclosed