SCHEMBL27265461

SCHEMBL27265461

CC(C)(C)OC(=O)N1CC[C@@H](Cn2c(=O)c(-c3ccccc3)cc3cnc(S(C)(=O)=O)nc32)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.42
SRC P12931 2/20 0.42
EGFR P00533 1/20 0.42
HPGDS O60760 2/20 0.42
PIK3CA P42336 1/20 0.41
LYN P07948 1/20 0.40
GPR119 Q8TDV5 6/20 0.40
USP7 Q93009 1/20 0.40
KAT7 O95251 1/20 0.40
KAT8 Q9H7Z6 1/20 0.40
FEN1 P39748 1/20 0.40
TGFBR1 P36897 1/20 0.39
TNK2 Q07912 1/20 0.39

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
SCHEMBL27265459 0.87 USP30 (0.42) USP30SRCEGFRHPGDSPIK3CA
SCHEMBL30837097 0.85 PIK3CA (0.40) USP30SRCEGFRHPGDSPIK3CA
SCHEMBL30837093 0.85 PIK3CA (0.40) USP30SRCEGFRHPGDSPIK3CA
SCHEMBL30837094 0.85 PIK3CA (0.40) USP30SRCEGFRHPGDSPIK3CA
SCHEMBL30837026 0.85 PIK3CA (0.40) USP30SRCEGFRHPGDSPIK3CA
SCHEMBL19499693 0.84 FGFR1 (0.47)
SCHEMBL17119658 0.83 SRC (0.47) USP30SRCEGFRHPGDSPIK3CA
SCHEMBL16415065 0.82 GPR119 (0.46) GPR119
SCHEMBL19499700 0.80 FGFR1 (0.47)
SCHEMBL16246157 0.79 FGFR1 (0.49) SRCKAT7KAT8TNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024073745-A1 INHIBITORS OF EGFR OR HER2 AND METHODS OF USE ARBELLA THERAPEUTICS, LLC (US) 2024-04-04 WO disclosed