SCHEMBL4494322

SCHEMBL4494322

Cc1ccccc1-c1ccc2c(NC(=O)CC3CCCC3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 9/20 0.56
AAK1 Q2M2I8 1/20 0.55
ACHE P22303 3/20 0.53
HDAC1 Q13547 4/20 0.52
HDAC2 Q92769 4/20 0.52
HDAC8 Q9BY41 4/20 0.52
MAPK1 P28482 2/20 0.52
GSK3A P49840 1/20 0.51
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL4493364 0.90 GSK3B (0.59) GSK3BHDAC1HDAC2HDAC8GSK3A
SCHEMBL4506175 0.89 AAK1 (0.58) GSK3BAAK1ACHEMAPK1GSK3A
SCHEMBL4486782 0.88 HDAC1 (0.68) GSK3BAAK1ACHEHDAC1HDAC2
SCHEMBL4484157 0.87 GSK3B (0.53) GSK3BAAK1ACHEHDAC1HDAC2
SCHEMBL4487690 0.87 HDAC1 (0.56) GSK3BAAK1ACHEHDAC1HDAC2
SCHEMBL4486080 0.85 GSK3B (0.66) GSK3BAAK1ACHEGSK3A
SCHEMBL4479320 0.85 AAK1 (0.64) GSK3BAAK1ACHEMAPK1GSK3A
SCHEMBL4497986 0.85 GSK3B (0.69) GSK3BAAK1GSK3A
SCHEMBL4485536 0.85 HDAC6 (0.58) GSK3BAAK1ACHEMAPK1GSK3A
SCHEMBL4485396 0.82 GSK3B (0.69) GSK3BAAK1GSK3A

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