SCHEMBL3528100

SCHEMBL3528100

Nc1ncnc2c1nc(Sc1cc3c(cc1F)OCCO3)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
SCHEMBL3521653 0.91 HSP90AA1 (0.90) HSP90AA1HSP90AB1
SCHEMBL13845712 0.90 HSP90AA1 (0.73) HSP90AA1HSP90AB1
SCHEMBL3745517 0.87 HSP90AA1 (0.86) HSP90AA1HSP90AB1
SCHEMBL31296818 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3119723 0.86 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL3516184 0.85 HSP90AA1 (0.79) HSP90AA1HSP90AB1
SCHEMBL3118802 0.81 HSP90AA1 (0.90) HSP90AA1HSP90AB1
SCHEMBL3128083 0.81 HSP90AA1 (0.90) HSP90AA1HSP90AB1
SCHEMBL3128110 0.81 HSP90AA1 (0.90) HSP90AA1HSP90AB1
SCHEMBL3121796 0.80 HSP90AA1 (1.00) 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