SCHEMBL13845680

SCHEMBL13845680

CC(=O)O[C@@H](C)C(=O)N1CCC(n2c(Sc3cc(O)c(O)cc3Br)nc3c(N)ncnc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.50
HSP90AB1 P08238 20/20 0.50

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
SCHEMBL3752104 0.89 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL3752109 0.89 HSP90AA1 (0.64) HSP90AA1HSP90AB1
SCHEMBL13845736 0.83 HSP90AA1 (0.47) HSP90AA1HSP90AB1
SCHEMBL13845792 0.80 HSP90AA1 (0.55) HSP90AA1HSP90AB1
SCHEMBL13895434 0.80 HSP90AA1 (0.71) HSP90AA1HSP90AB1
SCHEMBL3743309 0.79 HSP90AA1 (0.75) HSP90AA1HSP90AB1
SCHEMBL13895460 0.79 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL13895461 0.79 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL13845681 0.78 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL13895415 0.78 HSP90AA1 (0.66) HSP90AA1HSP90AB1

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
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed