SCHEMBL17338397

SCHEMBL17338397

CC(C)(C)OC(=O)N1CCN(n2c(CCN)nc3cccc(Cl)c3c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
PIK3R2 O00459 6/20 0.39
STS P08842 1/20 0.39
PIK3CD O00329 8/20 0.39
PDE10A Q9Y233 1/20 0.38
PARP1 P09874 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
KDM1A O60341 1/20 0.38
DPP4 P27487 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP3A5 P20815 1/20 0.37
DTYMK P23919 2/20 0.37

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
SCHEMBL17338188 0.95 POLB (0.40) POLBPIK3R2STSPIK3CDPDE10A
SCHEMBL17338298 0.90 PIK3R2 (0.40) POLBPIK3R2STSPIK3CDPDE10A
SCHEMBL17338168 0.87 POLB (0.40) POLBSTSPARP1KDM1ADPP4
SCHEMBL17338149 0.86 PDE10A (0.35) PIK3R2PIK3CDPDE10APARP1TNKS2
SCHEMBL17338394 0.84 CYP3A4 (0.40) POLBPIK3R2STSPIK3CDKDM1A
SCHEMBL17338223 0.84 OPRM1 (0.44) STSPIK3CDPARP1
SCHEMBL17338215 0.83 PIK3CD (0.50) PIK3R2PIK3CD
SCHEMBL17338186 0.83 PIK3CD (0.48) PIK3R2PIK3CD
SCHEMBL17338254 0.83 PIK3R2 (0.51) PIK3R2PIK3CD
SCHEMBL17338250 0.82 PIK3CD (0.48) PIK3R2PIK3CD

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-3154958-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Gilead Sciences, Inc. (US) 2017-04-19 EP disclosed
WO-2015191752-A1 PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS GILEAD SCIENCES, INC. (US) 2015-12-17 WO disclosed