SCHEMBL4487408

SCHEMBL4487408

CCSc1ccc(-c2ccc3c(NC(=O)CC4CCCC4)n[nH]c3c2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 17/20 0.59
AAK1 Q2M2I8 2/20 0.57
GSK3A P49840 2/20 0.50
PIK3CD O00329 1/20 0.50
PIM1 P11309 1/20 0.50
CDK2 P24941 1/20 0.50
CYP1A2 P05177 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL4495710 0.90 GSK3B (0.63) GSK3BCYP1A2
SCHEMBL4486080 0.87 GSK3B (0.66) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4487193 0.85 AAK1 (0.64) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4480696 0.85 AAK1 (0.57) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4483041 0.85 GSK3B (0.67) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4483526 0.84 GSK3B (0.81) GSK3BCYP1A2
SCHEMBL4503278 0.84 GSK3B (0.70) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4491749 0.84 HDAC1 (0.64) GSK3BAAK1
SCHEMBL4485536 0.84 HDAC6 (0.58) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4480686 0.83 GSK3B (0.65) GSK3BCYP1A2

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