SCHEMBL31146859

SCHEMBL31146859

C=CCN(C)c1cc2c(cc1Sc1nc3c(N)ncnc3n1CCNCC(C)(C)C)OC(F)(F)O2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 7/20 0.51
ERBB2 P04626 1/20 0.51
HSP90AA1 P07900 19/20 0.51
TRAP1 Q12931 1/20 0.49
HSP90B1 P14625 1/20 0.47
CDC37 Q16543 1/20 0.42

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
SCHEMBL31146862 0.90 HSP90AA1 (0.62) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL31146879 0.88 HSP90AA1 (0.52) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL12989855 0.79 HSP90AA1 (0.75) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL31146861 0.78 HSP90AA1 (0.62) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL31146880 0.78 HSP90AA1 (0.60) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL21442809 0.76 HSP90AA1 (0.76) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL18534329 0.76 HSP90AA1 (0.69) HSP90AB1ERBB2HSP90AA1TRAP1CDC37
SCHEMBL1669946 0.75 HSP90AA1 (0.60) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL18203466 0.75 HSP90AB1 (0.64) HSP90AB1ERBB2HSP90AA1TRAP1HSP90B1
SCHEMBL31146878 0.75 HSP90AA1 (0.33) HSP90AB1ERBB2HSP90AA1HSP90B1

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-4680606-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS AtmosR (FR) 2026-01-21 EP claimed
WO-2024194175-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS ATMOSR (FR) 2024-09-26 WO claimed
EP-4680606-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS AtmosR (FR) 2026-01-21 EP disclosed
WO-2024194175-A1 ADENINE DERIVATIVES AS HSP90 INHIBITORS ATMOSR (FR) 2024-09-26 WO disclosed