SCHEMBL31335599

SCHEMBL31335599

CN(C)C/C=C/C(=O)Nc1cccc2c1CN(C(=O)c1ccc(O)cc1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
EGFR P00533 8/20 0.40
ERBB2 P04626 5/20 0.40
TRAP1 Q12931 1/20 0.39
BTK Q06187 2/20 0.38
ITK Q08881 1/20 0.38
CCNK O75909 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
MNAT1 P51948 1/20 0.38
CDK12 Q9NYV4 1/20 0.38
SRC P12931 1/20 0.37
CDK14 O94921 6/20 0.37
CCNY Q8ND76 6/20 0.37

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 0.92 HSP90AB1 (0.51) HSP90AA1HSP90AB1TRAP1BTK
SCHEMBL31335804 0.90 TRAP1 (0.42) HSP90AA1HSP90AB1EGFRERBB2TRAP1
SCHEMBL31335621 0.89 HSP90AA1 (0.41) HSP90AA1HSP90AB1EGFRERBB2TRAP1
SCHEMBL31335563 0.88 CCNK (0.44) HSP90AA1HSP90AB1EGFRERBB2TRAP1
SCHEMBL31335631 0.88 HSP90AA1 (0.45) HSP90AA1HSP90AB1EGFRERBB2TRAP1
SCHEMBL31335663 0.87 HSP90AA1 (0.39) HSP90AA1HSP90AB1EGFRERBB2TRAP1
SCHEMBL31335573 0.84 TRAP1 (0.43) HSP90AA1HSP90AB1EGFRTRAP1BTK
SCHEMBL31335688 0.84 HSP90AB1 (0.41) HSP90AA1HSP90AB1EGFRERBB2TRAP1
SCHEMBL31335526 0.83 TRAP1 (0.46) HSP90AA1HSP90AB1TRAP1
SCHEMBL31335842 0.83 TRAP1 (0.44) HSP90AA1HSP90AB1TRAP1BTK

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