SCHEMBL3433985

SCHEMBL3433985

NC(=O)c1ccc(-n2c3ccccc3c3c(-c4nc5ccc(F)cc5[nH]4)cccc32)cc1NC1CC[CH]CC1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 19/20 0.43
CHEK2 O96017 1/20 0.37

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
SCHEMBL2183160 0.93 HSP90AA1 (0.43) HSP90AA1CHEK2
SCHEMBL2180278 0.93 HSP90AA1 (0.51) HSP90AA1
SCHEMBL2182937 0.93 HSP90AA1 (0.51) HSP90AA1
SCHEMBL2183269 0.92 HSP90AA1 (0.43) HSP90AA1CHEK2
SCHEMBL2183495 0.90 HSP90AA1 (0.43) HSP90AA1
SCHEMBL2183491 0.90 HSP90AA1 (0.43) HSP90AA1
SCHEMBL13658319 0.89 HSP90AA1 (0.50) HSP90AA1
SCHEMBL12411529 0.89 HSP90AA1 (0.50) HSP90AA1
SCHEMBL2184061 0.89 HSP90AA1 (0.41) HSP90AA1CHEK2
SCHEMBL2182355 0.89 HSP90AA1 (0.43) HSP90AA1CHEK2

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-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP claimed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO claimed
EP-2265598-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF Sanofi-Aventis (FR) 2010-12-29 EP disclosed
WO-2009122034-A2 NOVEL HSP90 INHIBITORY CARBAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME, AND USE THEREOF SANOFI-AVENTIS (FR) 2009-10-08 WO disclosed