SCHEMBL31335646

SCHEMBL31335646

CN(C)C/C=C/C(=O)N(C)c1cccc2c1CN(C(=O)c1c(O)cc(O)cc1Cl)C2

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SPR P35270 4/20 0.43
TRAP1 Q12931 9/20 0.37
BTK Q06187 6/20 0.34
LYN P07948 5/20 0.34
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
HSP90B1 P14625 4/20 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
SCHEMBL31335554 0.90 TRAP1 (0.38) SPRTRAP1BTKLYNHSP90AA1
SCHEMBL31335585 0.87 SPR (0.36) SPRTRAP1BTKLYNHSP90AA1
SCHEMBL31335713 0.86 TRAP1 (0.37) SPRTRAP1BTKLYNHSP90B1
SCHEMBL31335537 0.86 SPR (0.36) SPRTRAP1BTKLYNHSP90AA1
SCHEMBL31335822 0.85 TRAP1 (0.36) SPRTRAP1BTKLYNHSP90AA1
SCHEMBL31335522 0.83 TRAP1 (0.38) SPRTRAP1BTKLYNHSP90B1
SCHEMBL25267660 0.82 TRAP1 (0.36) SPRTRAP1BTKLYNHSP90AA1
SCHEMBL30378186 0.82 TRAP1 (0.36) SPRTRAP1BTKLYNHSP90AA1
SCHEMBL31335505 0.81 TRAP1 (0.44) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL25217350 0.80 TRAP1 (0.39) SPRTRAP1BTKLYNHSP90AA1

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