SCHEMBL17338394

SCHEMBL17338394

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.40
CYP3A5 P20815 2/20 0.40
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CD O00329 6/20 0.37
PIK3R2 O00459 6/20 0.37
VEGFA P15692 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
DPP4 P27487 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
STS P08842 1/20 0.36
MAP4K4 O95819 1/20 0.35
P2RX7 Q99572 1/20 0.35
KDM1A O60341 2/20 0.35
CXCR2 P25025 1/20 0.35
MAPT P10636 1/20 0.35
CNR1 P21554 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR35 Q9HC97 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
SCHEMBL17338168 0.94 POLB (0.40) CYP3A4CYP3A5POLBMEN1KMT2A
SCHEMBL17338459 0.93 CYP3A4 (0.38) CYP3A4CYP3A5POLBMEN1KMT2A
SCHEMBL17338241 0.84 PIK3CD (0.49) PIK3CDPIK3R2
SCHEMBL17338397 0.84 POLB (0.41) CYP3A4CYP3A5POLBPIK3CDPIK3R2
SCHEMBL17330920 0.84 PIK3CD (0.46) CYP3A4CYP3A5POLBMEN1KMT2A
SCHEMBL17330919 0.84 PIK3CD (0.46) CYP3A4CYP3A5POLBMEN1KMT2A
SCHEMBL17338195 0.81 PIK3CD (0.43) CYP3A4CYP3A5MEN1KMT2APIK3CD
SCHEMBL17330851 0.81 PIK3R2 (0.43) CYP3A4CYP3A5POLBMEN1KMT2A
SCHEMBL17330853 0.81 PIK3R2 (0.43) CYP3A4CYP3A5POLBMEN1KMT2A
SCHEMBL17338253 0.81 PIK3CD (0.51) CYP3A4CYP3A5PIK3CDPIK3R2GPR119

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