SCHEMBL3698929

SCHEMBL3698929

CCn1c(CN2CCN(C(C)C)CC2)nc2c(N3CCOCC3)nc(-c3cccc4[nH]ccc34)nc21

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.50
PIK3CA P42336 14/20 0.50
PIK3CB P42338 11/20 0.50
PIK3CG P48736 11/20 0.50
MTOR P42345 3/20 0.49
ATR Q13535 2/20 0.45
PRKDC P78527 1/20 0.45

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
SCHEMBL12267760 0.89 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2396343 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL13349747 0.88 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2398761 0.88 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2394451 0.88 PIK3CA (0.54) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2394633 0.87 PIK3CA (0.58) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL1949817 0.86 PIK3CD (0.65) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2396961 0.86 PIK3CA (0.51) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL13885983 0.85 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2395806 0.85 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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-2215090-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F. Hoffmann-La Roche AG (CH) 2010-08-11 EP claimed
WO-2009053716-A1 PURINE DERIVATIVES USEFUL AS PI3 KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2009-04-30 WO claimed