SCHEMBL4499351

SCHEMBL4499351

CC(=O)Nc1n[nH]c2cc(-c3ccc(C)c(C)c3)ccc12

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.63
AAK1 Q2M2I8 3/20 0.57
GSK3B P49841 13/20 0.55
HDAC6 Q9UBN7 1/20 0.54
KDR P35968 1/20 0.53
GSK3A P49840 2/20 0.52
PIK3CD O00329 1/20 0.52
PIM1 P11309 1/20 0.52
CDK2 P24941 1/20 0.52
CYP1A2 P05177 1/20 0.52
FGFR1 P11362 1/20 0.51
FGFR2 P21802 1/20 0.51
FGFR3 P22607 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
SCHEMBL4499397 0.88 GSK3B (0.70) DYRK1AAAK1GSK3BHDAC6GSK3A
SCHEMBL4500909 0.86 HDAC6 (0.70) DYRK1AAAK1GSK3BHDAC6GSK3A
SCHEMBL4483739 0.86 AAK1 (0.58) DYRK1AAAK1GSK3BHDAC6KDR
SCHEMBL4487525 0.85 GSK3B (0.73) DYRK1AAAK1GSK3BHDAC6GSK3A
SCHEMBL4499316 0.85 AAK1 (0.74) AAK1GSK3BGSK3APIK3CDPIM1
SCHEMBL4480790 0.85 DYRK1A (0.57) DYRK1AAAK1GSK3BHDAC6KDR
SCHEMBL4491401 0.84 GSK3B (0.73) DYRK1AAAK1GSK3BGSK3APIK3CD
SCHEMBL4484058 0.83 TRPA1 (0.62) DYRK1AAAK1GSK3BHDAC6GSK3A
SCHEMBL4494131 0.82 HDAC6 (0.71) DYRK1AAAK1GSK3BHDAC6
SCHEMBL4483349 0.82 GSK3B (0.74) DYRK1AAAK1GSK3BHDAC6GSK3A

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