SCHEMBL30807275

SCHEMBL30807275

CC(C)(C)OC(=O)NC1CCCN(c2nccs2)C1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.55
JAK3 P52333 2/20 0.53
MAP4K4 O95819 2/20 0.52
HPGD P15428 1/20 0.51
PDE10A Q9Y233 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
SYK P43405 1/20 0.44
EGFR P00533 1/20 0.44
LCK P06239 1/20 0.44
AURKA O14965 3/20 0.44
PDPK1 O15530 3/20 0.44
AURKB Q96GD4 3/20 0.44
CTSK P43235 2/20 0.44
RET P07949 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL30807324 1.00 BTK (0.55) BTKJAK3MAP4K4HPGDPDE10A
SCHEMBL973857 0.93 HPGD (0.50) BTKJAK3MAP4K4HPGDPDE10A
SCHEMBL972766 0.88 HPGD (0.45) BTKJAK3MAP4K4HPGDPDE10A
SCHEMBL4892745 0.86 HPGD (0.58) HPGDPDE10ACTSK
SCHEMBL30807226 0.82 HPGD (0.48) BTKJAK3MAP4K4HPGDLCK
SCHEMBL28138963 0.81 BTK (0.57) BTKJAK3MAP4K4HPGDPDE10A
SCHEMBL28138962 0.81 BTK (0.57) BTKJAK3MAP4K4HPGDPDE10A
SCHEMBL25520140 0.80 DPP4 (0.44) BTKHPGDDPP4
SCHEMBL30807237 0.80 BTK (0.51) BTKJAK3MAP4K4PDE10ACA1
SCHEMBL27142655 0.80 BTK (0.51) BTKJAK3MAP4K4PDE10ACA1

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-4577211-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER Wake Forest University Health Sciences (US) 2025-07-02 EP disclosed
WO-2024044744-A2 PEROXIREDOXIN 3 INHIBITORS AND METHODS OF USE FOR TREATING CANCER WAKE FOREST UNIVERSITY HEALTH SCIENCES (US) 2024-02-29 WO disclosed