SCHEMBL13845708

SCHEMBL13845708

COCC(=O)N1CCC(CCn2c(Sc3cc(O)c(O)cc3C#N)nc3c(N)ncnc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.58
HSP90AB1 P08238 20/20 0.58

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
SCHEMBL13845667 0.93 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL3532174 0.90 HSP90AA1 (0.69) HSP90AA1HSP90AB1
SCHEMBL3529947 0.90 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL13845671 0.88 HSP90AA1 (0.57) HSP90AA1HSP90AB1
SCHEMBL13845711 0.87 HSP90AA1 (0.68) HSP90AA1HSP90AB1
SCHEMBL13845715 0.85 HSP90AA1 (0.61) HSP90AA1HSP90AB1
SCHEMBL13845723 0.85 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL3516197 0.85 HSP90AB1 (0.61) HSP90AA1HSP90AB1
SCHEMBL13845666 0.85 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL3524755 0.84 HSP90AA1 (0.71) 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