SCHEMBL31335522

SCHEMBL31335522

COc1cc(O)c(C(=O)N2Cc3cccc(N(C)C(=O)/C=C/CN(C)C)c3C2)c(C)c1Cl

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 6/20 0.38
HSP90B1 P14625 4/20 0.38
KRAS P01116 3/20 0.35
FGFR1 P11362 7/20 0.34
FGFR2 P21802 7/20 0.34
FGFR4 P22455 6/20 0.34
FGFR3 P22607 6/20 0.34
SPR P35270 1/20 0.34
LYN P07948 2/20 0.33
BTK Q06187 2/20 0.33
ABCG2 Q9UNQ0 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
SCHEMBL31335585 0.91 SPR (0.36) TRAP1HSP90B1SPRLYNBTK
SCHEMBL31335760 0.91 TRAP1 (0.33) TRAP1HSP90B1SPRLYNBTK
SCHEMBL31335633 0.89 ABCG2 (0.33) FGFR1FGFR2FGFR4FGFR3LYN
SCHEMBL31335820 0.88 HSP90B1 (0.35) TRAP1HSP90B1KRASFGFR1FGFR2
SCHEMBL31335751 0.88 TRAP1 (0.40) TRAP1HSP90B1KRASFGFR1FGFR4
SCHEMBL31335822 0.86 TRAP1 (0.36) TRAP1HSP90B1SPRLYNBTK
SCHEMBL25267660 0.86 TRAP1 (0.36) TRAP1HSP90B1KRASSPRLYN
SCHEMBL30378186 0.86 TRAP1 (0.36) TRAP1HSP90B1KRASSPRLYN
SCHEMBL31335713 0.86 TRAP1 (0.37) TRAP1HSP90B1SPRLYNBTK
SCHEMBL31335505 0.85 TRAP1 (0.44) TRAP1HSP90B1KRAS

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