SCHEMBL4490399

SCHEMBL4490399

COc1cccc(-c2ccc3c(NC(=O)C4CC4)n[nH]c3c2)c1

nearest known ligand 0.92

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.92
HDAC2 Q92769 5/20 0.92
HDAC8 Q9BY41 5/20 0.92
GSK3A P49840 6/20 0.73
GSK3B P49841 5/20 0.73
AAK1 Q2M2I8 8/20 0.72
HDAC6 Q9UBN7 1/20 0.68
CDK2 P24941 2/20 0.67
PIK3CD O00329 1/20 0.67
PIM1 P11309 1/20 0.67

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
SCHEMBL4485572 0.96 HDAC1 (0.85) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4481656 0.96 HDAC1 (0.85) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4488478 0.95 HDAC1 (0.83) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4495293 0.90 HDAC1 (0.76) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4482949 0.89 HDAC1 (0.74) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4494397 0.86 HDAC6 (0.73) HDAC1HDAC2HDAC8AAK1HDAC6
SCHEMBL4504402 0.86 HDAC1 (0.71) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4485328 0.86 HDAC1 (0.76) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4502185 0.86 HDAC1 (0.70) HDAC1HDAC2HDAC8GSK3AGSK3B
SCHEMBL4494675 0.86 HDAC1 (0.70) HDAC1HDAC2HDAC8GSK3AGSK3B

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