SCHEMBL13539741

SCHEMBL13539741

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

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 17/20 0.47
HSP90AA1 P07900 16/20 0.46

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
SCHEMBL13539628 0.89 HSP90AB1 (0.55) HSP90AB1HSP90AA1
SCHEMBL14568063 0.82 HSP90AA1 (0.36) HSP90AB1HSP90AA1
SCHEMBL13539744 0.82 HSP90AA1 (0.61) HSP90AB1HSP90AA1
SCHEMBL13539712 0.79 HSP90AA1 (0.41) HSP90AB1HSP90AA1
SCHEMBL13539632 0.78 HSP90AA1 (0.43) HSP90AB1HSP90AA1
SCHEMBL13539627 0.78 HSP90AA1 (0.53) HSP90AB1HSP90AA1
SCHEMBL13539448 0.77 HSP90AA1 (0.49) HSP90AB1HSP90AA1
SCHEMBL14506444 0.77 HSP90AA1 (0.43) HSP90AB1HSP90AA1
SCHEMBL13616277 0.76 HSP90AB1 (0.70) HSP90AB1HSP90AA1
SCHEMBL13539625 0.75 HSP90AA1 (0.48) HSP90AB1HSP90AA1

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