SCHEMBL31042935

SCHEMBL31042935

CC(C)(C)OC(=O)Nc1cc(F)nc(CO)c1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 2/20 0.40
TOP2A P11388 1/20 0.39
TOP2B Q02880 1/20 0.39
SYK P43405 1/20 0.39
SREBF2 Q12772 1/20 0.38
MAPKAPK2 P49137 4/20 0.37
MAPK14 Q16539 1/20 0.37
ACSS2 Q9NR19 1/20 0.36
EGLN2 Q96KS0 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA9 Q16790 1/20 0.36
PSMB8 P28062 1/20 0.36
NAMPT P43490 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
MAP4K4 O95819 1/20 0.36
LCK P06239 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
SCHEMBL2470714 0.90 CYP17A1 (0.45) CYP17A1TOP2ATOP2BSREBF2MAPKAPK2
SCHEMBL30955400 0.84 RXFP1 (0.40) CYP17A1TOP2ATOP2BSYKSREBF2
SCHEMBL28151268 0.82 TOP2A (0.40) CYP17A1TOP2ATOP2BSREBF2MAPKAPK2
SCHEMBL17512692 0.81 ATR (0.41) CYP17A1TOP2ATOP2BSREBF2MAPKAPK2
SCHEMBL23608484 0.79 SYK (0.39) CYP17A1TOP2ATOP2BSYKMAPK14
SCHEMBL29883076 0.79 SYK (0.39) CYP17A1TOP2ATOP2BSYKMAPK14
SCHEMBL29703935 0.78 SCN9A (0.40) CYP17A1SYKSREBF2CA1LCK
SCHEMBL23608697 0.78 SYK (0.39) CYP17A1TOP2ATOP2BSYKEGLN2
SCHEMBL23168284 0.76 SREBF2 (0.47) CYP17A1SREBF2MAPKAPK2MAPK14CA12
SCHEMBL25751479 0.74 CYP4F2 (0.44) CYP17A1TOP2ATOP2BSYKMAPK14

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-4658647-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2025-12-10 EP disclosed
WO-2024160722-A1 TRICYCLIC AZEPINONE DERIVATIVES AS SYSTEM XC INHIBITORS UCB Biopharma SRL (BE) 2024-08-08 WO disclosed