SCHEMBL13190079

SCHEMBL13190079

NC(=O)c1ncc(-n2nc(C(F)(F)F)c3c(-c4cnc5ccccc5c4)cccc32)cc1NC1CCC(O)CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 20/20 0.70

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
SCHEMBL422923 1.00 HSP90AA1 (0.70) HSP90AA1
SCHEMBL422924 1.00 HSP90AA1 (0.70) HSP90AA1
SCHEMBL13190077 0.91 HSP90AA1 (0.84) HSP90AA1
SCHEMBL458828 0.91 HSP90AA1 (0.84) HSP90AA1
SCHEMBL458829 0.91 HSP90AA1 (0.84) HSP90AA1
SCHEMBL1394578 0.89 HSP90AA1 (0.83) HSP90AA1
SCHEMBL1394579 0.89 HSP90AA1 (0.83) HSP90AA1
SCHEMBL10215201 0.89 HSP90AA1 (0.83) HSP90AA1
SCHEMBL426916 0.89 HSP90AA1 (0.69) HSP90AA1
SCHEMBL426915 0.89 HSP90AA1 (0.69) 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-2010106290-A1 HSP90 INHIBITING INDAZOLE DERIVATIVES, COMPOSITIONS CONTAINING SAME AND USE THEREOF SANOFI-AVENTIS (FR) 2010-09-23 WO disclosed