SCHEMBL370212

SCHEMBL370212

COC(C)c1nc2ccccc2n1-c1nc(N2CCOCC2)c2nc(OC3CN(C4CCS(=O)(=O)CC4)C3I)n(C)c2n1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.69
PIK3CB P42338 3/20 0.39
PIK3CG P48736 3/20 0.39
PIK3CA P42336 2/20 0.39

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
SCHEMBL360154 0.88 PIK3CD (0.88) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL357441 0.88 PIK3CD (0.88) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL357442 0.88 PIK3CD (0.88) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL357892 0.82 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL29439887 0.82 PIK3CD (1.00) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL358472 0.79 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL358471 0.79 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL360143 0.79 PIK3CD (0.78) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL359207 0.75 PIK3CD (0.88) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL357996 0.75 PIK3CD (0.80) PIK3CDPIK3CBPIK3CGPIK3CA

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 claimed
WO-2012007493-A1 PURINE COMPOUNDS SELECTIVE FOR ΡI3Κ P110 DELTA, AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2012-01-19 WO claimed