SCHEMBL4486093

SCHEMBL4486093

CN(C)c1ccc(-c2ccc3c(NC(=O)C4CCC4)n[nH]c3c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 11/20 0.68
GSK3B P49841 8/20 0.68
GSK3A P49840 8/20 0.68
CDK2 P24941 4/20 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
SCHEMBL4497996 0.98 AAK1 (0.68) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4505323 0.95 AAK1 (0.74) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4485822 0.87 AAK1 (0.72) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4499817 0.86 GSK3A (0.91) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4491014 0.85 AAK1 (0.73) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4488315 0.85 GSK3B (0.72) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4484268 0.85 GSK3B (0.73) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4502185 0.84 HDAC1 (0.70) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4487203 0.84 AAK1 (0.68) AAK1GSK3BGSK3ACDK2PIK3CD
SCHEMBL4487011 0.84 AAK1 (0.67) 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