SCHEMBL4502580

SCHEMBL4502580

Cc1cccc(-c2ccc3c(NC(=O)N4CCCC4)n[nH]c3c2)c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.52
GSK3A P49840 3/20 0.52
AAK1 Q2M2I8 8/20 0.52
ALDH1A1 P00352 1/20 0.51
HDAC6 Q9UBN7 2/20 0.51
RAB9A P51151 1/20 0.50
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
FGFR4 P22455 1/20 0.47

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
SCHEMBL4500019 0.99 RAB9A (0.52) GSK3BGSK3AAAK1ALDH1A1HDAC6
SCHEMBL4503789 0.92 AAK1 (0.52) GSK3BGSK3AAAK1HDAC6HDAC1
SCHEMBL4498065 0.92 AAK1 (0.50) GSK3BGSK3AAAK1HDAC6HDAC1
SCHEMBL4498271 0.92 AAK1 (0.50) GSK3BGSK3AAAK1HDAC6HDAC1
SCHEMBL4488341 0.90 GSK3B (0.60) GSK3BGSK3AAAK1HDAC6RAB9A
SCHEMBL4491206 0.90 AAK1 (0.54) GSK3BGSK3AAAK1HDAC6HDAC1
SCHEMBL4492106 0.90 GSK3B (0.53) GSK3BGSK3AAAK1HDAC6HDAC1
SCHEMBL4491371 0.89 GSK3B (0.59) GSK3BGSK3AAAK1HDAC6RAB9A
SCHEMBL4502572 0.86 HDAC1 (0.65) GSK3BGSK3AHDAC6RAB9AHDAC1
SCHEMBL4505247 0.85 AAK1 (0.68) GSK3BGSK3AAAK1

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