SCHEMBL31335563

SCHEMBL31335563

COc1cc(O)ccc1C(=O)N1Cc2cccc(NC(=O)/C=C/CN(C)C)c2C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.44
CCNA2 P20248 2/20 0.44
CDK2 P24941 2/20 0.44
CDK7 P50613 2/20 0.44
CCNH P51946 2/20 0.44
MNAT1 P51948 2/20 0.44
CDK12 Q9NYV4 2/20 0.44
EGFR P00533 7/20 0.42
HSP90B1 P14625 4/20 0.42
TRAP1 Q12931 4/20 0.42
KRAS P01116 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
BTK Q06187 3/20 0.40
LYN P07948 1/20 0.40
ERBB2 P04626 5/20 0.39
MMP1 P03956 2/20 0.39
MMP2 P08253 2/20 0.39
MMP9 P14780 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
SCHEMBL31335571 0.90 HSP90AB1 (0.51) HSP90B1TRAP1HSP90AA1HSP90AB1BTK
SCHEMBL31336029 0.89 HSP90B1 (0.44) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335804 0.89 TRAP1 (0.42) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335609 0.88 TRAP1 (0.46) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335573 0.88 TRAP1 (0.43) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335599 0.88 HSP90AA1 (0.41) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335621 0.88 HSP90AA1 (0.41) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335663 0.85 HSP90AA1 (0.39) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335688 0.82 HSP90AB1 (0.41) CCNKCCNA2CDK2CDK7CCNH
SCHEMBL31335526 0.81 TRAP1 (0.46) HSP90B1TRAP1HSP90AA1HSP90AB1

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