SCHEMBL12427233

SCHEMBL12427233

C=C(C(C)C)N(c1nc(N2CCOCC2)c2nc(CN3CCC(C(C)(C)O)CC3)ccc2n1)c1ccccc1N

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.58
PIK3CG P48736 2/20 0.49
PIK3CB P42338 2/20 0.49
PIK3CA P42336 2/20 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
SCHEMBL12427235 0.87 PIK3CD (0.42) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2270679 0.78 PIK3CD (0.64) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2273155 0.76 PIK3CD (0.69) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2363497 0.74 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2278607 0.74 PIK3CD (0.74) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2272728 0.74 PIK3CD (0.75) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2273450 0.74 PIK3CD (1.00) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2274669 0.73 PIK3CD (0.59) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2269784 0.73 PIK3CD (0.61) PIK3CDPIK3CGPIK3CBPIK3CA
SCHEMBL2274471 0.73 PIK3CD (0.65) PIK3CDPIK3CGPIK3CBPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011101429-A1 PYRIDO[3,2-D]PYRIMIDINE PI3K DELTA INHIBITOR COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-08-25 WO disclosed