SCHEMBL31335822

SCHEMBL31335822

Cc1c(O)cc(O)c(C(=O)N2Cc3cccc(N(C)C(=O)/C=C/CN(C)C)c3C2)c1C

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 10/20 0.36
LYN P07948 3/20 0.35
BTK Q06187 3/20 0.35
SPR P35270 1/20 0.34
HSP90AA1 P07900 7/20 0.33
HSP90AB1 P08238 6/20 0.33
HSP90B1 P14625 6/20 0.33

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
SCHEMBL31335585 0.92 SPR (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL30378186 0.90 TRAP1 (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL25267660 0.90 TRAP1 (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335797 0.90 TRAP1 (0.35) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL30377115 0.89 TRAP1 (0.39) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL25217350 0.89 TRAP1 (0.39) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335554 0.88 TRAP1 (0.38) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335713 0.88 TRAP1 (0.37) TRAP1LYNBTKSPRHSP90B1
SCHEMBL31335643 0.88 LYN (0.33) LYNBTK
SCHEMBL31335522 0.86 TRAP1 (0.38) TRAP1LYNBTKSPRHSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP claimed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO claimed
EP-4720038-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2026-04-08 EP disclosed
WO-2024246496-A1 (HETERO)ARYL-CARBONYL-HETEROBICYCLIC COMPOUNDS AS INHIBITORS OF PMS2 FOR CANCER AND DEGENERATIVE ILLNESSES Neophore Limited (GB) 2024-12-05 WO disclosed