SCHEMBL4487690

SCHEMBL4487690

CCOc1ccccc1-c1ccc2c(NC(=O)CC3CCCC3)n[nH]c2c1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 5/20 0.56
HDAC2 Q92769 5/20 0.56
HDAC8 Q9BY41 5/20 0.56
GSK3B P49841 7/20 0.55
AAK1 Q2M2I8 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
MAPK1 P28482 2/20 0.51
ACHE P22303 3/20 0.50
FGFR1 P11362 1/20 0.49
FGFR2 P21802 1/20 0.49
FGFR3 P22607 1/20 0.49
GSK3A P49840 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
SCHEMBL4484030 0.91 HDAC1 (0.59) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4486782 0.91 HDAC1 (0.68) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4493336 0.87 GSK3B (0.62) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4494322 0.87 GSK3B (0.56) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4491665 0.85 HDAC1 (0.67) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4475876 0.85 GSK3B (0.62) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4483037 0.84 HDAC6 (0.58) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4484157 0.84 GSK3B (0.53) HDAC1HDAC2HDAC8GSK3BAAK1
SCHEMBL4490452 0.84 HDAC1 (0.58) HDAC1HDAC2HDAC8GSK3BHDAC6
SCHEMBL4499787 0.82 HDAC6 (0.64) HDAC1HDAC2HDAC8GSK3BAAK1

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