SCHEMBL4479151

SCHEMBL4479151

CC(C)C(=O)Nc1n[nH]c2cc(-c3cccs3)ccc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 10/20 0.68
GSK3A P49840 3/20 0.68
CDK2 P24941 2/20 0.68
FGFR4 P22455 1/20 0.59
HDAC3 O15379 2/20 0.55
HDAC1 Q13547 2/20 0.55
HDAC2 Q92769 2/20 0.55
AAK1 Q2M2I8 1/20 0.54
DYRK1A Q13627 1/20 0.48
HDAC6 Q9UBN7 2/20 0.47
CYP1A2 P05177 1/20 0.47
KDR P35968 1/20 0.46
MAPK1 P28482 1/20 0.45
FGFR1 P11362 1/20 0.45
FGFR2 P21802 1/20 0.45
FGFR3 P22607 1/20 0.45

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
SCHEMBL4487628 0.87 GSK3B (0.72) GSK3BGSK3ACDK2FGFR4HDAC3
SCHEMBL4480036 0.86 GSK3B (0.64) GSK3BGSK3ACDK2FGFR4HDAC1
SCHEMBL4503257 0.86 GSK3B (0.59) GSK3BGSK3ACDK2FGFR4HDAC1
SCHEMBL4483353 0.83 GSK3B (0.70) GSK3BGSK3ACDK2CYP1A2
SCHEMBL4500115 0.82 GSK3B (0.66) GSK3BGSK3ACDK2FGFR4HDAC1
SCHEMBL4494393 0.82 GSK3B (0.68) GSK3BGSK3ACDK2HDAC1HDAC2
SCHEMBL4502693 0.81 GSK3A (1.00) GSK3BGSK3ACDK2AAK1
SCHEMBL4493554 0.81 GSK3B (0.71) GSK3BGSK3ACDK2HDAC1HDAC2
SCHEMBL4477055 0.80 GSK3B (0.65) GSK3BGSK3ACDK2AAK1HDAC6
SCHEMBL4480520 0.79 GSK3A (0.92) GSK3BGSK3ACDK2AAK1

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