SCHEMBL4497996

SCHEMBL4497996

CN(C)c1ccc(-c2ccc3c(NC(=O)C4CCCC4)n[nH]c3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 10/20 0.68
GSK3B P49841 9/20 0.68
GSK3A P49840 9/20 0.68
CDK2 P24941 5/20 0.68
PIK3CD O00329 1/20 0.68
PIM1 P11309 1/20 0.68
GAK O14976 1/20 0.59
STK16 O75716 1/20 0.59
BMP2K Q9NSY1 1/20 0.59

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
SCHEMBL4486093 0.98 AAK1 (0.68) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4505323 0.95 AAK1 (0.74) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4488315 0.87 GSK3B (0.72) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4492207 0.86 GSK3B (0.71) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4481694 0.86 GSK3A (0.91) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4485334 0.85 AAK1 (0.73) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4503278 0.85 GSK3B (0.70) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4485822 0.85 AAK1 (0.72) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4476544 0.85 GSK3B (0.73) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4490055 0.85 GSK3A (0.88) AAK1GSK3BGSK3ACDK2PIK3CD

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