SCHEMBL4491027

SCHEMBL4491027

CC(C)C(=O)Nc1n[nH]c2cc(-c3ccc(F)cc3)ccc12

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.69
CYP1A2 P05177 1/20 0.58
AAK1 Q2M2I8 2/20 0.58
GSK3A P49840 3/20 0.54
DYRK1A Q13627 1/20 0.52
PIK3CD O00329 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 1/20 0.51
KDR P35968 1/20 0.51

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
SCHEMBL4497666 0.89 GSK3B (0.69) GSK3BCYP1A2AAK1GSK3A
SCHEMBL4494393 0.89 GSK3B (0.68) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4477055 0.89 GSK3B (0.65) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4482280 0.88 AAK1 (0.58) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4494613 0.87 GSK3B (0.57) GSK3BCYP1A2AAK1GSK3ADYRK1A
SCHEMBL4481457 0.87 GSK3B (0.69) GSK3BCYP1A2AAK1GSK3ADYRK1A
SCHEMBL4494686 0.86 AAK1 (0.57) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4502227 0.86 HDAC6 (0.55) GSK3BCYP1A2AAK1GSK3ADYRK1A
SCHEMBL4491401 0.86 GSK3B (0.73) GSK3BCYP1A2AAK1GSK3ADYRK1A
SCHEMBL4489254 0.85 HDAC6 (0.67) GSK3BAAK1

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