SCHEMBL369833

SCHEMBL369833

CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(CC(C)C=O)C3)n(C)c2n1

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.75
PIK3CB P42338 2/20 0.55
PIK3CA P42336 3/20 0.53
PIK3CG P48736 1/20 0.49

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
SCHEMBL370831 0.90 PIK3CD (0.60) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL370867 0.86 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL13358873 0.86 PIK3CD (0.74) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL358650 0.86 PIK3CD (1.00) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL359356 0.85 PIK3CD (0.90) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL359357 0.85 PIK3CD (0.90) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL16564480 0.85 PIK3CD (0.85) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357575 0.84 PIK3CD (0.89) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357576 0.84 PIK3CD (0.89) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357761 0.84 PIK3CD (0.89) PIK3CDPIK3CBPIK3CAPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593455-A1 PURINE COMPOUNDS SELECTIVE FOR I3 P110 DELTA, AND METHODS OF USE F.HOFFMANN-LA ROCHE AG (CH) 2013-05-22 EP disclosed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO disclosed