SCHEMBL954168

SCHEMBL954168

Cc1cc2c(-c3cnc4ccccc4c3)cccc2n1-c1ccc(C#N)c(N[C@H]2CC[C@H](O)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.55

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
SCHEMBL2183243 0.89 HSP90AA1 (0.55) HSP90AA1
SCHEMBL949653 0.87 HSP90AA1 (0.56) HSP90AA1
SCHEMBL1395321 0.86 HSP90AA1 (0.74) HSP90AA1
SCHEMBL1395324 0.86 HSP90AA1 (0.74) HSP90AA1
SCHEMBL951938 0.86 HSP90AA1 (0.74) HSP90AA1
SCHEMBL949717 0.85 HSP90AA1 (0.76) HSP90AA1
SCHEMBL420426 0.84 HSP90AA1 (0.75) HSP90AA1
SCHEMBL949997 0.84 HSP90AA1 (0.75) HSP90AA1
SCHEMBL420425 0.84 HSP90AA1 (0.75) HSP90AA1
SCHEMBL951332 0.80 BIRC5 (0.37) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011004132-A1 NOVEL HSP90-INHIBITING INDOLE DERIVATIVES, COMPOSITIONS CONTAINING SAID DERIVATIVES, AND USE THEREOF SANOFI-AVENTIS (FR) 2011-01-13 WO disclosed