SCHEMBL4498271

SCHEMBL4498271

Cc1cccc(-c2ccc3c(NC(=O)N4CCNCC4)n[nH]c3c2)c1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.50
GSK3B P49841 6/20 0.50
GSK3A P49840 3/20 0.50
HDAC6 Q9UBN7 4/20 0.49
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
FGFR4 P22455 1/20 0.46

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
SCHEMBL4502580 0.92 GSK3B (0.52) AAK1GSK3BGSK3AHDAC6HDAC1
SCHEMBL4500019 0.91 RAB9A (0.52) AAK1GSK3BGSK3AHDAC6HDAC1
SCHEMBL4490606 0.90 GSK3B (0.58) AAK1GSK3BGSK3AHDAC6
SCHEMBL4503789 0.90 AAK1 (0.52) AAK1GSK3BGSK3AHDAC6HDAC1
SCHEMBL4498065 0.90 AAK1 (0.50) AAK1GSK3BGSK3AHDAC6HDAC1
SCHEMBL4492106 0.88 GSK3B (0.53) AAK1GSK3BGSK3AHDAC6HDAC1
SCHEMBL4491206 0.88 AAK1 (0.54) AAK1GSK3BGSK3AHDAC6HDAC1
SCHEMBL4490316 0.87 HDAC1 (0.63) GSK3BGSK3AHDAC6HDAC1HDAC2
SCHEMBL12886054 0.84 MAPT (0.48) AAK1GSK3BGSK3AHDAC6
SCHEMBL12886065 0.81 DPP4 (0.46) AAK1GSK3BGSK3AHDAC6HDAC1

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