SCHEMBL4493050

SCHEMBL4493050

COc1ccccc1-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.72
GSK3A P49840 8/20 0.72
HDAC6 Q9UBN7 1/20 0.68
HDAC1 Q13547 2/20 0.67
HDAC2 Q92769 2/20 0.67
HDAC8 Q9BY41 2/20 0.67
AAK1 Q2M2I8 8/20 0.65
CDK2 P24941 4/20 0.65
PIK3CD O00329 1/20 0.65
PIM1 P11309 1/20 0.65

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
SCHEMBL4492327 0.96 HDAC6 (0.66) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4497932 0.96 HDAC6 (0.66) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4487511 0.95 HDAC6 (0.65) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4491018 0.90 GSK3B (0.76) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4495130 0.89 HDAC1 (0.69) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4504402 0.88 HDAC1 (0.71) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4494484 0.87 HDAC6 (0.74) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4501634 0.86 GSK3B (0.71) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL4495192 0.86 GSK3B (0.59) GSK3BGSK3AHDAC1HDAC2HDAC8
SCHEMBL4482515 0.86 GSK3B (0.71) GSK3BGSK3AHDAC6HDAC1HDAC2

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