SCHEMBL3517082

SCHEMBL3517082

Nc1ncnc2c1nc(Sc1cc3c(cc1Br)CCC3)n2CCC1CCNCC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.76
HSP90AB1 P08238 20/20 0.76

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
SCHEMBL13845675 0.88 HSP90AA1 (0.77) HSP90AA1HSP90AB1
SCHEMBL3516184 0.88 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL3757684 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3521653 0.85 HSP90AA1 (0.90) HSP90AA1HSP90AB1
SCHEMBL3119723 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL31296818 0.85 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3520388 0.83 HSP90AA1 (0.78) HSP90AA1HSP90AB1
SCHEMBL3516899 0.82 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL3749305 0.82 HSP90AA1 (0.81) HSP90AA1HSP90AB1
SCHEMBL3518339 0.81 HSP90AA1 (0.81) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2219448-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS Myriad Pharmaceuticals, Inc. (US) 2010-08-25 EP disclosed
WO-2009065035-A1 THERAPEUTIC COMPOUNDS AND THEIR USE IN TREATING DISEASES AND DISORDERS MYRIAD GENETICS, INC. (US) 2009-05-22 WO disclosed