SCHEMBL632355

SCHEMBL632355

CC(=O)N1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3R1 P27986 19/20 1.00

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
SCHEMBL15603041 0.92 PIK3R1 (0.85) PIK3CAPIK3R1
SCHEMBL634821 0.90 PIK3R1 (1.00) PIK3CAPIK3R1
SCHEMBL632141 0.89 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL633212 0.89 PIK3R1 (0.79) PIK3CAPIK3R1
SCHEMBL633173 0.87 PIK3R1 (1.00) PIK3CAPIK3R1
SCHEMBL15603053 0.87 PIK3R1 (0.83) PIK3CAPIK3R1
SCHEMBL20458896 0.85 PIK3R1 (0.80) PIK3CAPIK3R1
SCHEMBL633032 0.82 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL632562 0.81 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL893488 0.78 PIK3CA (1.00) PIK3CAPIK3R1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419429-B1 IMIDAZOPYRAZINES AS INHIBITORS OF PROTEIN KINASES CT NAC INVESTIGACIONES ONCOLOGICAS CNIO (ES) 2014-03-26 EP claimed
US-8778935-B2 Imidazopyrazines for use as kinase inhibitors CENTRO NACIONAL DE INVESTIGACIONES ONCOLOGICAS (CNIO) (ES) 2014-07-15 US disclosed
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