SCHEMBL4480802

SCHEMBL4480802

Cc1cccc(-c2ccc3c(NC(=O)NCCC4CCCN4C)n[nH]c3c2)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 4/20 0.47
AAK1 Q2M2I8 8/20 0.46
GSK3B P49841 4/20 0.46
GSK3A P49840 2/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
FGFR1 P11362 2/20 0.44
FGFR2 P21802 1/20 0.44
FGFR3 P22607 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
SCHEMBL4482945 0.92 GSK3B (0.51) AAK1GSK3BGSK3AHDAC6
SCHEMBL4486750 0.90 HDAC1 (0.59) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL4499391 0.89 AAK1 (0.61) AAK1GSK3BGSK3A
SCHEMBL12899166 0.89 GSK3B (0.56) AAK1GSK3BGSK3AFGFR1FGFR2
SCHEMBL12899596 0.87 LCK (0.45) CHRM3AAK1GSK3BGSK3AHDAC6
SCHEMBL12886077 0.87 HDAC6 (0.51) CHRM3AAK1GSK3BGSK3AHDAC6
SCHEMBL12886233 0.87 GSK3B (0.45) AAK1GSK3BGSK3A
SCHEMBL4488374 0.86 HDAC6 (0.53) CHRM3AAK1GSK3BGSK3AHDAC1
SCHEMBL4500034 0.86 GSK3B (0.58) AAK1GSK3BGSK3AHDAC1HDAC2
SCHEMBL12899164 0.85 GSK3B (0.47) AAK1GSK3BGSK3AFGFR1

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