SCHEMBL4500115

SCHEMBL4500115

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

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 13/20 0.66
CDK2 P24941 1/20 0.66
GSK3A P49840 1/20 0.66
FGFR4 P22455 1/20 0.57
CYP1A2 P05177 1/20 0.53
HDAC1 Q13547 5/20 0.50
HDAC2 Q92769 5/20 0.50
HDAC8 Q9BY41 5/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HPGD P15428 1/20 0.50
AHR P35869 1/20 0.50
HSD17B10 Q99714 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
SCHEMBL4483353 0.88 GSK3B (0.70) GSK3BCDK2GSK3ACYP1A2
SCHEMBL4487628 0.85 GSK3B (0.72) GSK3BCDK2GSK3AFGFR4CYP1A2
SCHEMBL4494906 0.85 GSK3B (0.60) GSK3BCDK2GSK3AFGFR4CYP1A2
SCHEMBL4491843 0.83 HDAC1 (0.57) GSK3BCDK2GSK3AFGFR4HDAC1
SCHEMBL4497518 0.83 GSK3B (0.76) GSK3BGSK3ACYP1A2HDAC1HDAC2
SCHEMBL4479151 0.82 GSK3B (0.68) GSK3BCDK2GSK3AFGFR4CYP1A2
SCHEMBL4503195 0.81 GSK3B (0.73) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4492040 0.81 GSK3B (0.68) GSK3BCDK2GSK3AFGFR4CYP1A2
SCHEMBL4497958 0.80 GSK3B (0.77) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4487032 0.80 HDAC6 (0.64) GSK3BFGFR4CYP1A2HDAC1HDAC2

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