SCHEMBL17338263

SCHEMBL17338263

CCCCOC(=O)N1CCN(n2c(CCN)nc3cccc(Cl)c3c2=O)CC12CC2

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.36
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
PIK3R2 O00459 12/20 0.33
PIK3CD O00329 12/20 0.33
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
PIK3CG P48736 1/20 0.31

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
SCHEMBL17338260 0.87 PIK3CD (0.40) PIK3R2PIK3CD
SCHEMBL17338149 0.86 PDE10A (0.35) PDE10APIK3R2PIK3CD
SCHEMBL22519315 0.79 PDE10A (0.35) PDE10APIK3R2PIK3CD
SCHEMBL17338385 0.74 PIK3CD (0.48) PIK3R2PIK3CD
SCHEMBL17338397 0.74 POLB (0.41) PDE10APIK3R2PIK3CD
SCHEMBL15819765 0.72 PIK3CD (0.42) PDE10AKCNH2HRH3PIK3R2PIK3CD
SCHEMBL17330564 0.72 PIK3R2 (0.43) PIK3R2PIK3CD
SCHEMBL17330566 0.72 PIK3R2 (0.43) PIK3R2PIK3CD
SCHEMBL17338188 0.71 POLB (0.40) PDE10APIK3R2PIK3CD
SCHEMBL17338155 0.70 PIK3CD (0.56) KCNH2HRH3PIK3R2PIK3CD

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