SCHEMBL4500438

SCHEMBL4500438

CCCCC(=O)Nc1n[nH]c2cc(-c3cccc(F)c3)ccc12

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.74
CYP1A2 P05177 2/20 0.74
GSK3A P49840 1/20 0.64
HDAC1 Q13547 5/20 0.62
HDAC2 Q92769 5/20 0.62
HDAC8 Q9BY41 5/20 0.62

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
SCHEMBL4489942 0.87 HDAC1 (0.79) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4497459 0.86 GSK3B (0.69) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL6478719 0.85 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL4498209 0.85 GSK3B (0.70) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4497751 0.85 GSK3B (0.70) GSK3BCYP1A2HDAC1HDAC2HDAC8
SCHEMBL4486931 0.85 GSK3B (0.66) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4488738 0.84 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL31061638 0.84 GSK3B (1.00) GSK3BCYP1A2
SCHEMBL4483586 0.84 GSK3B (0.66) GSK3BCYP1A2GSK3AHDAC1HDAC2
SCHEMBL4503159 0.84 GSK3B (0.70) 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