SCHEMBL806551

SCHEMBL806551

CCc1cc(-c2n[nH]c(=O)n2-c2cccc3[nH]ccc23)c(O)cc1O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.54
HSP90AB1 P08238 6/20 0.45

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
SCHEMBL13983476 0.94 HSP90AA1 (0.53) HSP90AA1HSP90AB1
SCHEMBL12180265 0.89 HSP90AA1 (0.44) HSP90AA1HSP90AB1
SCHEMBL9925249 0.89 HSP90AA1 (0.41) HSP90AA1HSP90AB1
SCHEMBL12045810 0.84 HSP90AA1 (0.60) HSP90AA1HSP90AB1
SCHEMBL806553 0.83 HSP90AA1 (0.40) HSP90AA1HSP90AB1
SCHEMBL13983147 0.83 HSP90AA1 (0.43) HSP90AA1HSP90AB1
SCHEMBL419802 0.78 HSP90AA1 (0.51) HSP90AA1HSP90AB1
SCHEMBL13983472 0.78 HSP90AA1 (0.58) HSP90AA1HSP90AB1
SCHEMBL9925250 0.77 GOT1 (0.36) HSP90AA1
SCHEMBL14933295 0.77 BRD4 (0.38) HSP90AA1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013067162-A1 CANCER THERAPY USING A COMBINATION OF HSP90 INHIBITORS WITH TOPOISOMERASE I INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2013-05-10 WO disclosed
WO-2012116061-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH RADIOTHERAPY SYNTA PHARMACEUTICALS CORP. (US) 2012-08-30 WO disclosed
WO-2012078757-A2 COMBINATION BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-06-14 WO disclosed
WO-2012037072-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS SYNTA PHARMACEUTICALS CORPORATION (US) 2012-03-22 WO disclosed
WO-2011149824-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 WO disclosed
WO-2007139952-A2 METHOD FOR THE PREPARATION OF TRIAZOLE COMPOUNDS WITH HSP90 MODULATING ACTIVITY SYNTA PHARMACEUTICALS CORP. (US) 2007-12-06 WO disclosed