SCHEMBL31335804

SCHEMBL31335804

Cc1cc(O)ccc1C(=O)N1Cc2cccc(NC(=O)/C=C/CN(C)C)c2C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRAP1 Q12931 7/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
BTK Q06187 4/20 0.40
CCNK O75909 2/20 0.39
CDK12 Q9NYV4 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
CDK7 P50613 1/20 0.39
CCNH P51946 1/20 0.39
MNAT1 P51948 1/20 0.39
SRC P12931 1/20 0.36
HSP90B1 P14625 4/20 0.36
LYN P07948 1/20 0.36
MMP1 P03956 1/20 0.36
MMP2 P08253 1/20 0.36
MMP9 P14780 1/20 0.36
PIP4K2A P48426 1/20 0.36
PIP4K2B P78356 1/20 0.36
BRD4 O60885 1/20 0.36

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
SCHEMBL31335571 0.93 HSP90AB1 (0.51) TRAP1HSP90AA1HSP90AB1BTKHSP90B1
SCHEMBL31335621 0.90 HSP90AA1 (0.41) TRAP1HSP90AA1HSP90AB1BTKCCNK
SCHEMBL31335599 0.90 HSP90AA1 (0.41) TRAP1HSP90AA1HSP90AB1BTKCCNK
SCHEMBL31335563 0.89 CCNK (0.44) TRAP1HSP90AA1HSP90AB1BTKCCNK
SCHEMBL31335663 0.88 HSP90AA1 (0.39) TRAP1HSP90AA1HSP90AB1BTKCCNK
SCHEMBL31335842 0.87 TRAP1 (0.44) TRAP1HSP90AA1HSP90AB1BTKHSP90B1
SCHEMBL31335814 0.87 TRAP1 (0.38) TRAP1BTKCCNKCDK12CCNA2
SCHEMBL31336012 0.85 TRAP1 (0.48) TRAP1HSP90AA1HSP90AB1CCNKCDK12
SCHEMBL31335526 0.85 TRAP1 (0.46) TRAP1HSP90AA1HSP90AB1HSP90B1
SCHEMBL31335573 0.85 TRAP1 (0.43) TRAP1HSP90AA1HSP90AB1BTKCCNK

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