SCHEMBL795466

SCHEMBL795466

CCCN1c2ccc(-n3c(S)nnc3-c3cc(CC)c(O)cc3O)cc2CC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.33
HSP90AB1 P08238 3/20 0.33

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
SCHEMBL2598394 0.85 HSP90AA1 (0.30) HSP90AA1HSP90AB1
SCHEMBL931647 0.80 NPC1 (0.34) HSP90AA1HSP90AB1
SCHEMBL929610 0.79 TRIM24 (0.36) HSP90AA1HSP90AB1
SCHEMBL1148450 0.76 HSP90AA1 (0.32) HSP90AA1HSP90AB1
SCHEMBL3702596 0.75 HSP90AA1 (0.31) HSP90AA1HSP90AB1
SCHEMBL13983495 0.75 HSP90AA1 (0.33) HSP90AA1HSP90AB1
SCHEMBL930067 0.75 CRBN (0.37)
SCHEMBL16772875 0.75 HSP90AA1 (0.37) HSP90AA1HSP90AB1
SCHEMBL421415 0.74 HSP90AA1 (0.36) HSP90AA1HSP90AB1
SCHEMBL419879 0.73 HSP90AA1 (0.53) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616063-A1 HSP90 INHIBITORS FOR TREATING NON-SMALL CELL LUNG CANCERS IN WILD-TYPE EGFR AND/OR KRAS PATIENTS Synta Pharmaceuticals Corp. (US) 2013-07-24 EP claimed
EP-2575810-A1 CANCER THERAPY USING A COMBINATION OF A HSP90 INHIBITORY COMPOUND AND A TOPOISOMERASE II INHIBITOR Synta Pharmaceuticals Corp. (US) 2013-04-10 EP claimed
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 claimed
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 claimed