SCHEMBL4490775

SCHEMBL4490775

Cc1cccc(C)c1-c1ccc2c(NC(=O)C3CCCC3)n[nH]c2c1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.68
GSK3A P49840 8/20 0.67
GSK3B P49841 7/20 0.67
CDK2 P24941 4/20 0.64
PIK3CD O00329 1/20 0.64
PIM1 P11309 1/20 0.64
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC8 Q9BY41 1/20 0.60

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
SCHEMBL4489818 0.99 AAK1 (0.67) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4491360 0.98 AAK1 (0.68) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4497986 0.88 GSK3B (0.69) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4488385 0.88 GSK3A (0.71) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4494840 0.87 GSK3A (0.70) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4488315 0.86 GSK3B (0.72) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4485396 0.86 GSK3B (0.69) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4496007 0.85 AAK1 (0.67) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4492207 0.85 GSK3B (0.71) AAK1GSK3AGSK3BCDK2PIK3CD
SCHEMBL4481694 0.85 GSK3A (0.91) AAK1GSK3AGSK3BCDK2PIK3CD

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