SCHEMBL4484157

SCHEMBL4484157

CSc1ccccc1-c1ccc2c(NC(=O)CC3CCCC3)n[nH]c2c1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.53
AAK1 Q2M2I8 1/20 0.53
ACHE P22303 3/20 0.51
HDAC1 Q13547 4/20 0.50
HDAC2 Q92769 4/20 0.50
HDAC8 Q9BY41 4/20 0.50
MAPK1 P28482 2/20 0.50
GSK3A P49840 1/20 0.48
HDAC6 Q9UBN7 1/20 0.46

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
SCHEMBL4490073 0.91 GSK3B (0.56) GSK3BHDAC1HDAC2HDAC8
SCHEMBL4494322 0.87 GSK3B (0.56) GSK3BAAK1ACHEHDAC1HDAC2
SCHEMBL4486782 0.86 HDAC1 (0.68) GSK3BAAK1ACHEHDAC1HDAC2
SCHEMBL4485400 0.85 GSK3B (0.65) GSK3BAAK1GSK3A
SCHEMBL4489015 0.85 GSK3B (0.64) GSK3BAAK1GSK3A
SCHEMBL4490672 0.84 GSK3B (0.74) GSK3B
SCHEMBL4487690 0.84 HDAC1 (0.56) GSK3BAAK1ACHEHDAC1HDAC2
SCHEMBL4483953 0.83 GSK3B (0.65) GSK3BAAK1GSK3A
SCHEMBL4495973 0.83 GSK3B (0.71) GSK3BAAK1GSK3A
SCHEMBL4484379 0.83 GSK3B (0.58) GSK3BHDAC1HDAC2HDAC8HDAC6

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