SCHEMBL1445083

SCHEMBL1445083

CCOC(=O)N1CCc2nc3c(N4CCOCC4)nc(-c4cnc(N)nc4)cn3c2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3R1 P27986 20/20 1.00
PIK3CA P42336 20/20 1.00
PIK3CD O00329 2/20 0.63
PIK3CB P42338 2/20 0.63
PIK3CG P48736 2/20 0.63

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
SCHEMBL1445147 0.84 PIK3R1 (0.73) PIK3R1PIK3CA
SCHEMBL14667172 0.83 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819811 0.82 PIK3R1 (0.70) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL16612929 0.80 PIK3CA (0.66) PIK3R1PIK3CAPIK3CD
SCHEMBL12819936 0.78 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819665 0.78 PIK3R1 (1.00) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819602 0.75 PIK3R1 (0.75) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819468 0.74 PIK3R1 (0.69) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL12819971 0.74 PIK3R1 (0.79) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL10092213 0.74 PIK3CA (0.71) PIK3R1PIK3CAPIK3CDPIK3CBPIK3CG

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
EP-2480549-B1 Fused imidazo[3,2-d]pyrazines as PI3 kinase inhibitors FUNDACIÓN CT NAC DE INVESTIGACIONES ONCOLÓGICAS CARLOS III (ES) 2015-04-08 EP disclosed
EP-2480549-A1 FUSED IMIDAZO [3, 2 - D]PYRAZINES AS PI3 KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-08-01 EP disclosed
WO-2011036461-A1 FUSED IMIDAZO [3, 2 - D] PYRAZINES AS PI3 KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCΌLOGICAS (CNIO) (ES) 2011-03-31 WO disclosed