SCHEMBL14452429

SCHEMBL14452429

CNc1nc(Cl)c2c(n1)n(Cc1ncc(C)c(Br)c1C)c(=O)n2CCC=C(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.39
▸ HSP90AB1 P08238 3/20 0.39

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
SCHEMBL4268586 0.89 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL14452344 0.83 HSP90AA1 (0.48) HSP90AA1HSP90AB1
SCHEMBL14366743 0.80 HSP90AA1 (0.49) HSP90AA1HSP90AB1
SCHEMBL4273900 0.79 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL4419634 0.77 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL5606236 0.76 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL14392851 0.76 HSP90AA1 (0.56) HSP90AA1HSP90AB1
SCHEMBL4566497 0.73 HSP90AA1 (0.52) HSP90AA1HSP90AB1
SCHEMBL14366735 0.72 HSP90AA1 (0.59) HSP90AA1HSP90AB1
SCHEMBL14366746 0.71 HSP90AA1 (0.51) 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-2007092496-A2 7,9-DIHYDRO-PURIN-8-ONE AND RELATED ANALOGS AS HSP90-INHIBITORS CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-16 — — WO disclosed
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