SCHEMBL4494577

SCHEMBL4494577

COCC(=O)Nc1n[nH]c2cc(-c3ccc(F)c(F)c3)ccc12

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.61
CYP1A2 P05177 1/20 0.60
TRPA1 O75762 1/20 0.56
HDAC1 Q13547 4/20 0.56
HDAC2 Q92769 4/20 0.56
HDAC8 Q9BY41 4/20 0.56

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
SCHEMBL4489862 0.90 GSK3B (0.60) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4497958 0.89 GSK3B (0.77) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4482168 0.87 GSK3B (0.66) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4486931 0.86 GSK3B (0.66) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4503195 0.86 GSK3B (0.73) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4497518 0.86 GSK3B (0.76) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4487032 0.85 HDAC6 (0.64) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4490865 0.85 HDAC1 (0.73) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4502564 0.84 GSK3B (0.60) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4483697 0.84 HDAC1 (0.69) GSK3BCYP1A2HDAC1HDAC2HDAC8

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