SCHEMBL21513745

SCHEMBL21513745

CC(C)(C)OC(=O)N1CC(COc2ncc(Br)cc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 5/20 0.44
FEN1 P39748 5/20 0.44
IDO1 P14902 2/20 0.41
TDO2 P48775 1/20 0.41
JAK3 P52333 1/20 0.41
USP30 Q70CQ3 1/20 0.39
NR1H2 P55055 1/20 0.39
NAMPT P43490 1/20 0.39
GPR119 Q8TDV5 3/20 0.38
AKT1 P31749 1/20 0.38
PIK3CA P42336 1/20 0.38
MTOR P42345 1/20 0.38
FNTA P49354 1/20 0.38
FNTB P49356 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HSD17B10 Q99714 1/20 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
SCHEMBL29969696 1.00 ALOX5AP (0.44) ALOX5APFEN1IDO1TDO2JAK3
SCHEMBL26130336 0.83 HSD17B10 (0.34) IDO1JAK3KDM4EHSD17B10
SCHEMBL26590176 0.83 IDO1 (0.39) ALOX5APFEN1IDO1TDO2JAK3
SCHEMBL29968865 0.83 IDO1 (0.39) ALOX5APFEN1IDO1TDO2JAK3
SCHEMBL29308759 0.81 ALOX5AP (0.44) ALOX5APFEN1IDO1TDO2JAK3
SCHEMBL12801074 0.81 USP30 (0.44) ALOX5APFEN1USP30NR1H2NAMPT
SCHEMBL14828895 0.79 FNTA (0.38) ALOX5APFEN1IDO1TDO2JAK3
SCHEMBL14829207 0.78 IDO1 (0.38) ALOX5APFEN1IDO1TDO2JAK3
SCHEMBL31207480 0.78 DGAT1 (0.47) ALOX5APFEN1IDO1TDO2USP30
SCHEMBL22247188 0.78 DGAT1 (0.47) ALOX5APFEN1IDO1TDO2USP30

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 EP disclosed
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO disclosed