SCHEMBL31335566

SCHEMBL31335566

C=CC(=O)N(CC)c1cccc2c1CN(C(=O)c1c(O)cc(O)c(Cl)c1C)C2

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPR P35270 2/20 0.38
TRAP1 Q12931 7/20 0.36
HSP90AA1 P07900 8/20 0.35
HSP90AB1 P08238 4/20 0.35
HSP90B1 P14625 3/20 0.34
BTK Q06187 1/20 0.33
KRAS P01116 2/20 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
SCHEMBL31335618 0.88 SPR (0.39) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335543 0.87 SPR (0.35) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335536 0.81 SPR (0.35) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335647 0.80 TRAP1 (0.35) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335781 0.79 TRAP1 (0.39) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335797 0.79 TRAP1 (0.35) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335585 0.79 SPR (0.36) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335751 0.79 TRAP1 (0.40) SPRTRAP1HSP90B1KRAS
SCHEMBL31335555 0.78 SPR (0.39) SPRTRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335771 0.76 SPR (0.42) SPRTRAP1HSP90AA1HSP90AB1HSP90B1

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