SCHEMBL363208

SCHEMBL363208

CCc1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CCN(CC(C)(C)C=O)CC3)n(C)c2n1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.66
PIK3CB P42338 2/20 0.61
PIK3CA P42336 3/20 0.56
PIK3CG P48736 1/20 0.51

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
SCHEMBL363843 0.88 PIK3CD (0.70) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL370867 0.87 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357693 0.86 PIK3CD (0.74) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357012 0.85 PIK3CD (0.75) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL358381 0.85 PIK3CD (0.77) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL16564494 0.85 PIK3CD (0.77) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL358615 0.85 PIK3CD (0.70) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL359553 0.85 PIK3CD (0.72) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357822 0.85 PIK3CD (0.71) PIK3CDPIK3CBPIK3CAPIK3CG
SCHEMBL357668 0.84 PIK3CD (0.88) 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