SCHEMBL4482280

SCHEMBL4482280

CC(C)C(=O)Nc1n[nH]c2cc(-c3ccc(C(C)C)cc3)ccc12

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 3/20 0.58
GSK3B P49841 13/20 0.56
HDAC6 Q9UBN7 3/20 0.52
GSK3A P49840 2/20 0.52
PIK3CD O00329 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51

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
SCHEMBL4489062 0.89 HDAC6 (0.65) AAK1GSK3BHDAC6
SCHEMBL4494393 0.89 GSK3B (0.68) AAK1GSK3BHDAC6GSK3APIK3CD
SCHEMBL4477055 0.89 GSK3B (0.65) AAK1GSK3BHDAC6GSK3APIK3CD
SCHEMBL4491027 0.88 GSK3B (0.69) AAK1GSK3BGSK3APIK3CDPIM1
SCHEMBL4494686 0.86 AAK1 (0.57) AAK1GSK3BHDAC6GSK3APIK3CD
SCHEMBL4502227 0.86 HDAC6 (0.55) AAK1GSK3BHDAC6GSK3A
SCHEMBL4489254 0.85 HDAC6 (0.67) AAK1GSK3BHDAC6
SCHEMBL4495300 0.85 GSK3B (0.70) AAK1GSK3BHDAC6GSK3APIK3CD
SCHEMBL4495082 0.85 HDAC6 (0.66) AAK1GSK3BHDAC6GSK3APIK3CD
SCHEMBL4483739 0.85 AAK1 (0.58) AAK1GSK3BHDAC6GSK3APIK3CD

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