SCHEMBL12427232

SCHEMBL12427232

CC(C)(O)C1CCN(Cc2ccc3nc(-n4c(CN)nc5ccccc54)nc(N4CCOCC4)c3n2)CC1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 20/20 0.65
PIK3CB P42338 2/20 0.65
PIK3CG P48736 2/20 0.60
PIK3CA P42336 2/20 0.52

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
SCHEMBL2278186 0.92 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2270443 0.91 PIK3CD (0.64) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2274471 0.90 PIK3CD (0.65) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2271016 0.90 PIK3CD (0.63) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2276744 0.89 PIK3CD (0.71) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2270557 0.88 PIK3CD (0.74) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2275654 0.88 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2274500 0.88 PIK3CD (0.60) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2270535 0.88 PIK3CD (0.66) PIK3CDPIK3CBPIK3CGPIK3CA
SCHEMBL2276163 0.88 PIK3CD (0.71) 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 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