SCHEMBL4493554

SCHEMBL4493554

CC(C)C(=O)Nc1n[nH]c2cc(-c3ccsc3)ccc12

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.71
CYP1A2 P05177 2/20 0.71
GSK3A P49840 4/20 0.69
CDK2 P24941 3/20 0.69
HDAC1 Q13547 1/20 0.62
HDAC2 Q92769 1/20 0.62
HDAC8 Q9BY41 1/20 0.62
AAK1 Q2M2I8 2/20 0.55
KDR P35968 1/20 0.47
PIK3CD O00329 1/20 0.46
PIM1 P11309 1/20 0.46
DYRK1A Q13627 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4487631 0.87 GSK3B (0.75) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4500681 0.85 GSK3B (0.65) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4489164 0.85 GSK3B (0.60) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4483246 0.84 GSK3B (0.69) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4486435 0.84 GSK3B (0.85) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4494393 0.83 GSK3B (0.68) GSK3BGSK3ACDK2HDAC1HDAC2
SCHEMBL4477055 0.83 GSK3B (0.65) GSK3BGSK3ACDK2AAK1KDR
SCHEMBL1462380 0.83 GSK3B (1.00) GSK3BCYP1A2GSK3ACDK2HDAC1
SCHEMBL4495082 0.82 HDAC6 (0.66) GSK3BCYP1A2GSK3ACDK2AAK1
SCHEMBL4482280 0.82 AAK1 (0.58) GSK3BGSK3ACDK2AAK1PIK3CD

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