SCHEMBL31335543

SCHEMBL31335543

CCN(C(=O)/C=C/CN(C)C)c1cccc2c1CN(C(=O)c1c(O)cc(O)c(Cl)c1C)C2

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.35
TRAP1 Q12931 9/20 0.33
HSP90AA1 P07900 4/20 0.32
HSP90AB1 P08238 2/20 0.32
LYN P07948 3/20 0.32
BTK Q06187 3/20 0.32
HSP90B1 P14625 4/20 0.32
CYP3A4 P08684 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL31335797 0.92 TRAP1 (0.35) SPRTRAP1HSP90AA1HSP90AB1LYN
SCHEMBL31335765 0.91 SPR (0.34) SPRTRAP1HSP90AA1HSP90AB1LYN
SCHEMBL31335585 0.91 SPR (0.36) SPRTRAP1HSP90AA1HSP90AB1LYN
SCHEMBL31335536 0.87 SPR (0.35) SPRTRAP1HSP90AA1HSP90AB1LYN
SCHEMBL31335566 0.87 SPR (0.38) SPRTRAP1HSP90AA1HSP90AB1BTK
SCHEMBL31335654 0.84 TRAP1 (0.43) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335822 0.83 TRAP1 (0.36) SPRTRAP1HSP90AA1HSP90AB1LYN
SCHEMBL31335522 0.82 TRAP1 (0.38) SPRTRAP1LYNBTKHSP90B1
SCHEMBL31335537 0.81 SPR (0.36) SPRTRAP1HSP90AA1HSP90AB1LYN
SCHEMBL31335713 0.80 TRAP1 (0.37) SPRTRAP1LYNBTKHSP90B1

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