SCHEMBL632141

SCHEMBL632141

CN1CCN(Cc2cn3cc(-c4cccc(O)c4)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 20/20 1.00
PIK3R1 P27986 19/20 1.00
PIK3CD O00329 1/20 0.53
PIK3CB P42338 1/20 0.53
MTOR P42345 1/20 0.53
PIK3CG P48736 1/20 0.53

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
SCHEMBL634821 0.93 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL632355 0.89 PIK3CA (1.00) PIK3CAPIK3R1
SCHEMBL633173 0.89 PIK3R1 (1.00) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL20458896 0.89 PIK3R1 (0.80) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL15603041 0.88 PIK3R1 (0.85) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL15603053 0.88 PIK3R1 (0.83) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL633032 0.85 PIK3CA (1.00) PIK3CAPIK3R1MTOR
SCHEMBL633212 0.85 PIK3R1 (0.79) PIK3CAPIK3R1
SCHEMBL2730144 0.84 PIK3R1 (0.72) PIK3CAPIK3R1PIK3CDPIK3CBMTOR
SCHEMBL632562 0.83 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 4 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
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