SCHEMBL31336029

SCHEMBL31336029

COc1ccccc1C(=O)N1Cc2cccc(NC(=O)/C=C/CN(C)C)c2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 3/20 0.44
TRAP1 Q12931 3/20 0.44
EGFR P00533 2/20 0.44
CCNK O75909 2/20 0.42
CCNA2 P20248 2/20 0.42
CDK2 P24941 2/20 0.42
CDK7 P50613 2/20 0.42
CCNH P51946 2/20 0.42
MNAT1 P51948 2/20 0.42
CDK12 Q9NYV4 2/20 0.42
NAMPT P43490 3/20 0.42
KRAS P01116 1/20 0.42
TRPA1 O75762 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
LYN P07948 1/20 0.41
BTK Q06187 1/20 0.41
FYN P06241 1/20 0.41
HTT P42858 2/20 0.40
KMT2A Q03164 1/20 0.40
CYP2C9 P11712 2/20 0.39

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
SCHEMBL31335563 0.89 CCNK (0.44) HSP90B1TRAP1EGFRCCNKCCNA2
SCHEMBL31335609 0.88 TRAP1 (0.46) HSP90B1TRAP1EGFRCCNKCCNA2
SCHEMBL31335664 0.84 CCNK (0.41) TRAP1EGFRCCNKCCNA2CDK2
SCHEMBL31335573 0.84 TRAP1 (0.43) HSP90B1TRAP1EGFRCCNKCCNA2
SCHEMBL31335526 0.83 TRAP1 (0.46) HSP90B1TRAP1
SCHEMBL31335571 0.82 HSP90AB1 (0.51) HSP90B1TRAP1BTK
SCHEMBL31335804 0.81 TRAP1 (0.42) HSP90B1TRAP1EGFRCCNKCCNA2
SCHEMBL31335842 0.81 TRAP1 (0.44) HSP90B1TRAP1BTK
SCHEMBL31335749 0.80 TRAP1 (0.44) HSP90B1TRAP1EGFRCCNKCCNA2
SCHEMBL31335631 0.80 HSP90AA1 (0.45) HSP90B1TRAP1EGFR

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