SCHEMBL9905233

SCHEMBL9905233

CC(C)c1cc(-c2nnc(OP(=O)(O)O)n2-c2ccc3c(ccn3C)c2)c(O)cc1OP(=O)(O)O

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.73
HSP90AB1 P08238 20/20 0.73
HSP90B1 P14625 1/20 0.52
TRAP1 Q12931 1/20 0.52

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
SCHEMBL30050709 0.92 HSP90AA1 (0.74) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL420150 0.92 HSP90AA1 (0.74) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL444903 0.91 HSP90AA1 (0.73) HSP90AA1HSP90AB1HSP90B1TRAP1
Phosphoric Acid SCHEMBL9905234 0.91 HSP90AA1 (0.73) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL29357308 0.84 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL419884 0.84 HSP90AB1 (1.00) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL444904 0.84 HSP90AA1 (0.63) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL419889 0.81 HSP90AA1 (0.60) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL1304910 0.80 HSP90AB1 (0.58) HSP90AA1HSP90AB1HSP90B1TRAP1
SCHEMBL12486604 0.79 HSP90AA1 (0.59) HSP90AA1HSP90AB1HSP90B1TRAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2678014-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2014-01-01 EP claimed
EP-2663305-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS Synta Pharmaceuticals Corp. (US) 2013-11-20 EP claimed
EP-2648708-A2 COMBINATION FOR BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2013-10-16 EP claimed
WO-2012141796-A2 PROSTATE CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-10-18 WO claimed
WO-2012116247-A1 HSP90 INHIBITORY COMPOUNDS IN TREATING JAK/STAT SIGNALING-MEDIATED CANCERS SYNTA PHARMACEUTICALS CORP. (US) 2012-08-30 WO claimed
WO-2012096919-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 WO claimed
WO-2012078757-A2 COMBINATION BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-06-14 WO claimed
EP-2663305-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS Synta Pharmaceuticals Corp. (US) 2013-11-20 EP disclosed
EP-2648708-A2 COMBINATION FOR BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS Synta Pharmaceuticals Corp. (US) 2013-10-16 EP disclosed
WO-2012116247-A1 HSP90 INHIBITORY COMPOUNDS IN TREATING JAK/STAT SIGNALING-MEDIATED CANCERS SYNTA PHARMACEUTICALS CORP. (US) 2012-08-30 WO disclosed
WO-2012096919-A1 COMBINATION THERAPY OF HSP90 INHIBITORY COMPOUNDS WITH PROTEASOME INHIBITORS SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 WO disclosed
WO-2012078757-A2 COMBINATION BREAST CANCER THERAPY WITH HSP90 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2012-06-14 WO disclosed