SCHEMBL4362908

SCHEMBL4362908

Cc1cc(Nc2cc(NCCCCCC(=O)NO)nc(Sc3ccc(N)cc3)n2)[nH]n1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AURKB Q96GD4 7/20 0.40
▸ AURKA O14965 5/20 0.40
▸ HDAC1 Q13547 13/20 0.37
▸ HDAC2 Q92769 6/20 0.37
▸ HDAC6 Q9UBN7 6/20 0.37
▸ HDAC3 O15379 4/20 0.37
▸ HDAC10 Q969S8 4/20 0.37
▸ HDAC8 Q9BY41 4/20 0.37
▸ HDAC4 P56524 2/20 0.35
▸ HDAC7 Q8WUI4 2/20 0.35
▸ HDAC11 Q96DB2 2/20 0.35
▸ HDAC9 Q9UKV0 2/20 0.35
▸ HDAC5 Q9UQL6 2/20 0.35

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
SCHEMBL4362898 0.92 AURKB (0.39) AURKBAURKAHDAC1HDAC2HDAC6
SCHEMBL4362895 0.91 AURKB (0.37) AURKBAURKAHDAC1HDAC2HDAC6
SCHEMBL13785498 0.87 AURKA (0.47) AURKBAURKA
SCHEMBL13785504 0.87 AURKA (0.47) AURKBAURKA
SCHEMBL4530762 0.83 AURKA (0.44) AURKBAURKA
SCHEMBL13785508 0.83 AURKA (0.44) AURKBAURKA
SCHEMBL13785495 0.79 AURKA (0.48) AURKBAURKA
SCHEMBL4570009 0.79 AURKA (0.51) AURKBAURKA
SCHEMBL4373208 0.77 AURKA (0.48) AURKBAURKA
SCHEMBL13785491 0.77 AURKA (0.47) AURKBAURKA

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-2009086012-A1 AURORA INHIBITORS CONTAINING A ZINC BINDING MOIETY CURIS, INC. (US) 2009-07-09 — — WO disclosed
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