SCHEMBL13539744

SCHEMBL13539744

COc1c(C)cnc(CN2CC(=O)c3c(Br)nc(N)nc32)c1C

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.61
HSP90AB1 P08238 19/20 0.61
TRAP1 Q12931 2/20 0.47
HSP90B1 P14625 1/20 0.47

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
SCHEMBL13539714 0.89 HSP90AA1 (0.71) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL13539625 0.88 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL13539632 0.84 HSP90AA1 (0.43) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL13539741 0.82 HSP90AB1 (0.47) HSP90AA1HSP90AB1
SCHEMBL12613418 0.80 HSP90AA1 (0.84) HSP90AA1HSP90AB1
SCHEMBL14471018 0.79 HSP90AA1 (0.53) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL1056688 0.79 HSP90AA1 (0.63) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL12614031 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL12613575 0.78 HSP90AA1 (0.64) HSP90AA1HSP90AB1TRAP1HSP90B1
SCHEMBL12614036 0.77 HSP90AA1 (0.63) HSP90AA1HSP90AB1TRAP1HSP90B1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2145888-A1 Deazapurine derivatives as HSP90-Inhibitors Conforma Therapeutics Corporation (US) 2010-01-20 EP disclosed