SCHEMBL17444983

SCHEMBL17444983

Cc1cn2nc([C@@H]3CCCCN3C(=O)c3ccccc3O)cc2nc1N1CC[C@H](C)C1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 7/20 0.41
HSP90AB1 P08238 7/20 0.41
HCRTR1 O43613 3/20 0.36
HCRTR2 O43614 3/20 0.36

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
SCHEMBL2737589 0.94 HSP90AA1 (0.39) HSP90AA1HSP90AB1
SCHEMBL18022011 0.92 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL17445000 0.91 HSP90AA1 (0.41) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL15316912 0.91 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL17444981 0.91 GRM5 (0.39) HCRTR1HCRTR2
SCHEMBL2737745 0.91 HSP90AA1 (0.41) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL15077246 0.91 HSP90AA1 (0.40) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL2737733 0.90 HCRTR1 (0.36) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL19099846 0.90 HSP90AA1 (0.40) HSP90AA1HSP90AB1HCRTR1HCRTR2
SCHEMBL17445097 0.90 HCRTR1 (0.44) HCRTR1HCRTR2

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
US-9238039-B2 Pyrazolo[1,5-A]pyrimidines for antiviral treatment GILEAD SCIENCES, INC. (US) 2016-01-19 US disclosed