SCHEMBL371276

SCHEMBL371276

CC(C=O)CN1CC(Oc2nc3c(N4CCOCC4)nc(-c4c(F)ccc5[nH]ccc45)nc3n2C)C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.49
PIK3CA P42336 6/20 0.46
PIK3CB P42338 3/20 0.46
PIK3CG P48736 2/20 0.46
CYP3A4 P08684 4/20 0.44
PIK3R1 P27986 4/20 0.44
MTOR P42345 3/20 0.38
PRKDC P78527 3/20 0.38
TNF P01375 1/20 0.35

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
SCHEMBL357715 0.85 PIK3CD (0.53) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL359707 0.80 PIK3CD (0.51) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL362463 0.78 PIK3CD (0.44) PIK3CDPIK3CACYP3A4TNF
SCHEMBL369833 0.71 PIK3CD (0.75) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL370831 0.71 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2392521 0.70 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2392907 0.70 PIK3CD (0.57) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2395627 0.69 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL13885982 0.69 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL2397815 0.69 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4

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