SCHEMBL4495082

SCHEMBL4495082

Cc1cc(C)cc(-c2ccc3c(NC(=O)C(C)C)n[nH]c3c2)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.66
AAK1 Q2M2I8 2/20 0.58
FGFR4 P22455 1/20 0.57
GSK3B P49841 14/20 0.55
CYP1A2 P05177 1/20 0.52
KDR P35968 1/20 0.51
GSK3A P49840 2/20 0.49
PIK3CD O00329 1/20 0.49
PIM1 P11309 1/20 0.49
CDK2 P24941 1/20 0.49
DYRK1A Q13627 1/20 0.49

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
SCHEMBL4477055 0.91 GSK3B (0.65) HDAC6AAK1GSK3BKDRGSK3A
SCHEMBL4502197 0.90 AAK1 (0.64) HDAC6AAK1FGFR4GSK3BCYP1A2
SCHEMBL4483739 0.88 AAK1 (0.58) HDAC6AAK1GSK3BCYP1A2KDR
SCHEMBL4494393 0.86 GSK3B (0.68) HDAC6AAK1GSK3BGSK3APIK3CD
SCHEMBL4500909 0.86 HDAC6 (0.70) HDAC6AAK1FGFR4GSK3BCYP1A2
SCHEMBL4482280 0.85 AAK1 (0.58) HDAC6AAK1GSK3BGSK3APIK3CD
SCHEMBL4491027 0.85 GSK3B (0.69) AAK1GSK3BCYP1A2KDRGSK3A
SCHEMBL4494686 0.84 AAK1 (0.57) HDAC6AAK1GSK3BGSK3APIK3CD
SCHEMBL4489062 0.84 HDAC6 (0.65) HDAC6AAK1GSK3BCYP1A2
SCHEMBL4498057 0.83 AAK1 (0.52) HDAC6AAK1GSK3BCYP1A2KDR

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