SCHEMBL4491843

SCHEMBL4491843

COc1cccc(CC(=O)Nc2n[nH]c3cc(-c4cccs4)ccc23)c1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 7/20 0.57
HDAC2 Q92769 7/20 0.57
HDAC8 Q9BY41 7/20 0.57
GSK3B P49841 2/20 0.56
CDK2 P24941 1/20 0.56
GSK3A P49840 1/20 0.56
ROCK1 Q13464 6/20 0.52
PRKACA P17612 5/20 0.52
HDAC6 Q9UBN7 1/20 0.52
FGFR4 P22455 1/20 0.50
CYP3A4 P08684 2/20 0.49
ALDH1A1 P00352 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK8 P45983 1/20 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
SCHEMBL4498073 0.88 HDAC1 (0.72) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4496581 0.87 HDAC1 (0.65) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4488439 0.85 GSK3B (0.65) HDAC1HDAC2HDAC8GSK3BCDK2
SCHEMBL4494216 0.84 HDAC1 (0.59) HDAC1HDAC2HDAC8GSK3BCDK2
SCHEMBL4559902 0.84 GSK3B (0.63) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4479937 0.84 HDAC1 (0.62) HDAC1HDAC2HDAC8GSK3BPRKACA
SCHEMBL4491247 0.84 HDAC1 (0.65) HDAC1HDAC2HDAC8GSK3BCDK2
SCHEMBL4500115 0.83 GSK3B (0.66) HDAC1HDAC2HDAC8GSK3BCDK2
SCHEMBL4492088 0.83 HDAC1 (0.71) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4557773 0.83 GSK3B (0.64) HDAC1HDAC2HDAC8GSK3BHDAC6

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