SCHEMBL4489062

SCHEMBL4489062

CC(C)C(=O)Nc1n[nH]c2cc(-c3ccc(Cl)c(Cl)c3)ccc12

nearest known ligand 0.65

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 7/20 0.65
AAK1 Q2M2I8 1/20 0.57
GSK3B P49841 11/20 0.54
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
CYP1A2 P05177 1/20 0.48

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
SCHEMBL4502227 0.90 HDAC6 (0.55) HDAC6AAK1GSK3BHDAC1HDAC2
SCHEMBL4482280 0.89 AAK1 (0.58) HDAC6AAK1GSK3B
SCHEMBL4499436 0.86 HDAC6 (0.66) HDAC6AAK1GSK3BHDAC1HDAC2
SCHEMBL4494393 0.85 GSK3B (0.68) HDAC6AAK1GSK3BHDAC1HDAC2
SCHEMBL4477055 0.85 GSK3B (0.65) HDAC6AAK1GSK3B
SCHEMBL4491027 0.84 GSK3B (0.69) AAK1GSK3BCYP1A2
SCHEMBL4483739 0.84 AAK1 (0.58) HDAC6AAK1GSK3BCYP1A2
SCHEMBL4495082 0.84 HDAC6 (0.66) HDAC6AAK1GSK3BCYP1A2
SCHEMBL4483701 0.84 HDAC6 (0.55) HDAC6AAK1GSK3B
SCHEMBL1461281 0.83 GSK3B (0.66) HDAC6AAK1GSK3BHDAC1HDAC2

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