SCHEMBL17338253

SCHEMBL17338253

CC(C)(C)OC(=O)N1CCN(n2c(CCNc3ncnc4scnc34)nc3c(F)ccc(Cl)c3c2=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.51
PIK3R2 O00459 9/20 0.51
MKNK1 Q9BUB5 7/20 0.39
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
PIK3CG P48736 2/20 0.34
GPR119 Q8TDV5 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP3A5 P20815 1/20 0.33

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
SCHEMBL17338267 0.94 PIK3CD (0.49) PIK3CDPIK3R2MKNK1CNR1CNR2
SCHEMBL17338258 0.88 PIK3CD (0.53) PIK3CDPIK3R2PIK3CG
SCHEMBL17338195 0.87 PIK3CD (0.43) PIK3CDPIK3R2MKNK1CNR1CNR2
SCHEMBL17338208 0.84 PIK3CD (0.52) PIK3CDPIK3R2PIK3CG
SCHEMBL17330625 0.84 PIK3CD (0.73) PIK3CDPIK3R2PIK3CG
SCHEMBL17330624 0.84 PIK3CD (0.73) PIK3CDPIK3R2PIK3CG
SCHEMBL17338350 0.84 PIK3CD (0.68) PIK3CDPIK3R2PIK3CG
SCHEMBL17338241 0.82 PIK3CD (0.49) PIK3CDPIK3R2
SCHEMBL17338160 0.81 PIK3CD (0.48) PIK3CDPIK3R2MKNK1CNR1CNR2
SCHEMBL17338394 0.81 CYP3A4 (0.40) PIK3CDPIK3R2CNR1GPR119CYP3A4

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