SCHEMBL4487296

SCHEMBL4487296

CSc1ccccc1-c1ccc2c(NC(=O)CCc3ccccc3)n[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.60
HDAC1 Q13547 4/20 0.54
HDAC2 Q92769 4/20 0.54
HDAC8 Q9BY41 4/20 0.54

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
SCHEMBL4490672 0.90 GSK3B (0.74) GSK3B
SCHEMBL4490468 0.87 GSK3B (0.56) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4484379 0.85 GSK3B (0.58) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4485935 0.85 HDAC1 (0.73) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4480311 0.83 GSK3B (0.56) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4490073 0.83 GSK3B (0.56) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4485485 0.82 GSK3B (0.60) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4493169 0.82 HDAC1 (0.55) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4498920 0.81 HDAC1 (0.54) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4497732 0.81 GSK3B (0.69) GSK3BHDAC1HDAC2HDAC8

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