SCHEMBL4490073

SCHEMBL4490073

CSc1ccccc1-c1ccc2c(NC(=O)CCC3CCCC3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 16/20 0.56
HDAC1 Q13547 4/20 0.53
HDAC2 Q92769 4/20 0.53
HDAC8 Q9BY41 4/20 0.53
CYP1A2 P05177 2/20 0.47

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
SCHEMBL4484157 0.91 GSK3B (0.53) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4493364 0.88 GSK3B (0.59) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4490672 0.86 GSK3B (0.74) GSK3BCYP1A2
SCHEMBL4486110 0.86 HDAC1 (0.71) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4485453 0.86 HDAC1 (0.68) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4484030 0.85 HDAC1 (0.59) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4479144 0.85 GSK3B (0.71) GSK3BHDAC1HDAC2HDAC8CYP1A2
SCHEMBL4485400 0.84 GSK3B (0.65) GSK3B
SCHEMBL4487296 0.83 GSK3B (0.60) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4489015 0.83 GSK3B (0.64) GSK3B

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