SCHEMBL4502197

SCHEMBL4502197

Cc1cccc(-c2ccc3c(NC(=O)C(C)C)n[nH]c3c2)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 7/20 0.64
GSK3B P49841 7/20 0.55
HDAC6 Q9UBN7 5/20 0.55
GSK3A P49840 3/20 0.53
FGFR4 P22455 1/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL4495082 0.90 HDAC6 (0.66) AAK1GSK3BHDAC6GSK3AFGFR4
SCHEMBL4494393 0.89 GSK3B (0.68) AAK1GSK3BHDAC6GSK3A
SCHEMBL4477055 0.89 GSK3B (0.65) AAK1GSK3BHDAC6GSK3A
SCHEMBL4499436 0.87 HDAC6 (0.66) AAK1GSK3BHDAC6GSK3A
SCHEMBL4497666 0.87 GSK3B (0.69) AAK1GSK3BHDAC6GSK3ACYP1A2
SCHEMBL4504699 0.86 GSK3B (0.56) AAK1GSK3BHDAC6GSK3AFGFR4
SCHEMBL4493797 0.86 AAK1 (0.58) AAK1GSK3BHDAC6GSK3A
SCHEMBL4483739 0.85 AAK1 (0.58) AAK1GSK3BHDAC6GSK3ACYP1A2
SCHEMBL4503079 0.85 HDAC6 (0.69) AAK1HDAC6FGFR4
SCHEMBL4503245 0.85 ADORA3 (0.62) AAK1GSK3BHDAC6GSK3A

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