SCHEMBL4493797

SCHEMBL4493797

Cc1cccc(C)c1-c1ccc2c(NC(=O)C(C)C)n[nH]c2c1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.58
HDAC6 Q9UBN7 3/20 0.53
KDR P35968 1/20 0.49
GSK3B P49841 8/20 0.49
GSK3A P49840 2/20 0.48
DYRK1A Q13627 1/20 0.47
MAPK1 P28482 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
SCHEMBL4493801 0.86 GSK3B (0.51) AAK1HDAC6GSK3BGSK3ADYRK1A
SCHEMBL4502197 0.86 AAK1 (0.64) AAK1HDAC6GSK3BGSK3A
SCHEMBL4483739 0.85 AAK1 (0.58) AAK1HDAC6KDRGSK3BGSK3A
SCHEMBL4493014 0.85 MAPK1 (0.53) AAK1HDAC6GSK3BGSK3AMAPK1
SCHEMBL4494393 0.84 GSK3B (0.68) AAK1HDAC6GSK3BGSK3AMAPK1
SCHEMBL4477055 0.84 GSK3B (0.65) AAK1HDAC6KDRGSK3BGSK3A
SCHEMBL4495082 0.83 HDAC6 (0.66) AAK1HDAC6KDRGSK3BGSK3A
SCHEMBL4480768 0.82 FGFR1 (0.69) AAK1HDAC6GSK3B
SCHEMBL4497666 0.82 GSK3B (0.69) AAK1HDAC6GSK3BGSK3A
SCHEMBL4499436 0.82 HDAC6 (0.66) AAK1HDAC6GSK3BGSK3A

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