SCHEMBL31335554

SCHEMBL31335554

Cc1cc(O)cc(O)c1C(=O)N1Cc2cccc(N(C)C(=O)/C=C/CN(C)C)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 9/20 0.38
LYN P07948 7/20 0.35
BTK Q06187 7/20 0.35
SPR P35270 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33
HSP90B1 P14625 5/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
FYN P06241 1/20 0.33
SRC P12931 1/20 0.33
EPHA8 P29322 1/20 0.33
FRK P42685 1/20 0.33
BLK P51451 1/20 0.33
BMX P51813 1/20 0.33
EPHB3 P54753 1/20 0.33
ERBB4 Q15303 1/20 0.33
LMNA P02545 1/20 0.32
CYP3A4 P08684 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
SCHEMBL31335646 0.90 SPR (0.43) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335822 0.88 TRAP1 (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335962 0.86 TRAP1 (0.41) TRAP1SPRHSP90AA1HSP90AB1HSP90B1
SCHEMBL31335585 0.86 SPR (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335603 0.84 TRAP1 (0.45) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335881 0.84 TRAP1 (0.49) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL25267660 0.84 TRAP1 (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL30378186 0.84 TRAP1 (0.36) TRAP1LYNBTKSPRHSP90AA1
SCHEMBL31335814 0.84 TRAP1 (0.38) TRAP1LYNBTKEGFR
SCHEMBL31335713 0.84 TRAP1 (0.37) 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