SCHEMBL17338182

SCHEMBL17338182

CC(C)(C)OC(=O)N1CCCC(n2c(CCNc3ncnc4cccnc34)nc3cccc(Cl)c3c2=O)CC1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.49
PIK3R2 O00459 4/20 0.40
PIK3CG P48736 1/20 0.40
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OGFRL1 Q5TC84 3/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TNF P01375 1/20 0.38
LITAF Q99732 1/20 0.38
OPRK1 P41145 2/20 0.38
CCNA2 P20248 2/20 0.38
CDK2 P24941 2/20 0.38
CDK5 Q00535 2/20 0.38
CDK5R1 Q15078 2/20 0.38
HCAR1 Q9BXC0 1/20 0.37
STS P08842 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL17338191 0.86 PIK3R2 (0.52) PIK3CDPIK3R2PIK3CGCNR1CNR2
SCHEMBL17338324 0.85 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGCNR1CNR2
SCHEMBL17331074 0.85 PIK3CD (0.70) PIK3CDPIK3R2PIK3CG
SCHEMBL17338221 0.84 PIK3CD (0.48) PIK3CDPIK3R2PIK3CGOPRM1OPRD1
SCHEMBL17338336 0.82 PIK3CD (0.68) PIK3CDPIK3R2PIK3CG
SCHEMBL17338338 0.82 PIK3CD (0.68) PIK3CDPIK3R2PIK3CG
SCHEMBL17338211 0.81 PIK3CD (0.49) PIK3CDPIK3R2PIK3CG
SCHEMBL17338223 0.79 OPRM1 (0.44) PIK3CDOPRM1OPRD1OGFRL1TNF
SCHEMBL17338184 0.78 OPRM1 (0.44) PIK3CDOPRM1OPRD1OGFRL1TNF
SCHEMBL17338218 0.77 PIK3CD (0.49) PIK3CDPIK3R2PIK3CGCNR1CNR2

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