SCHEMBL4499436

SCHEMBL4499436

CC(C)C(=O)Nc1n[nH]c2cc(-c3cccc(Cl)c3)ccc12

nearest known ligand 0.66

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 5/20 0.66
AAK1 Q2M2I8 7/20 0.66
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
GSK3B P49841 7/20 0.57
GSK3A P49840 3/20 0.52

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
SCHEMBL4494393 0.88 GSK3B (0.68) HDAC6AAK1HDAC1HDAC2HDAC8
SCHEMBL4502197 0.87 AAK1 (0.64) HDAC6AAK1GSK3BGSK3A
SCHEMBL1461281 0.86 GSK3B (0.66) HDAC6AAK1HDAC1HDAC2HDAC8
SCHEMBL4497666 0.86 GSK3B (0.69) HDAC6AAK1GSK3BGSK3A
SCHEMBL4489062 0.86 HDAC6 (0.65) HDAC6AAK1HDAC1HDAC2HDAC8
SCHEMBL4559708 0.85 ADORA3 (0.58) HDAC6AAK1HDAC1HDAC2HDAC8
SCHEMBL4502227 0.85 HDAC6 (0.55) HDAC6AAK1HDAC1HDAC2HDAC8
SCHEMBL4482280 0.84 AAK1 (0.58) HDAC6AAK1GSK3BGSK3A
SCHEMBL4503079 0.84 HDAC6 (0.69) HDAC6AAK1HDAC1HDAC2HDAC8
SCHEMBL4493555 0.83 AAK1 (0.60) HDAC6AAK1GSK3BGSK3A

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
US-7632854-B2 Aminoindazole derivatives active as kinase inhibitors, process for their preparation and pharmaceutical compositions comprising them PFIZER ITALIA S.R.L. (IT) 2009-12-15 US claimed