SCHEMBL4498920

SCHEMBL4498920

COc1ccc(CC(=O)Nc2n[nH]c3cc(-c4ccccc4SC)ccc23)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 11/20 0.54
HDAC2 Q92769 11/20 0.54
HDAC8 Q9BY41 11/20 0.54
GSK3B P49841 4/20 0.52
HDAC6 Q9UBN7 2/20 0.49
FGFR4 P22455 2/20 0.48
ADORA3 P0DMS8 1/20 0.46
ADORA2A P29274 1/20 0.46
FGFR1 P11362 1/20 0.46
FGFR2 P21802 1/20 0.46
FGFR3 P22607 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
SCHEMBL4493169 0.91 HDAC1 (0.55) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4484379 0.86 GSK3B (0.58) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4490672 0.83 GSK3B (0.74) GSK3B
SCHEMBL4480311 0.82 GSK3B (0.56) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4497400 0.82 GSK3B (0.56) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4490468 0.81 GSK3B (0.56) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4492565 0.81 HDAC1 (0.57) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4487296 0.81 GSK3B (0.60) HDAC1HDAC2HDAC8GSK3B
SCHEMBL4489000 0.81 HDAC6 (0.57) HDAC1HDAC2HDAC8HDAC6FGFR4
SCHEMBL4500697 0.81 GSK3B (0.67) 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