SCHEMBL4480790

SCHEMBL4480790

CC(=O)Nc1n[nH]c2cc(-c3cc(C)ccc3C)ccc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.57
GSK3B P49841 14/20 0.54
AAK1 Q2M2I8 3/20 0.50
HDAC6 Q9UBN7 1/20 0.50
LMNA P02545 1/20 0.49
KDR P35968 1/20 0.48
CYP1A2 P05177 2/20 0.46
GSK3A P49840 2/20 0.46
PIK3CD O00329 1/20 0.46
PIM1 P11309 1/20 0.46
CDK2 P24941 1/20 0.46

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
SCHEMBL4498057 0.87 AAK1 (0.52) DYRK1AGSK3BAAK1HDAC6KDR
SCHEMBL4506246 0.86 GSK3B (0.67) GSK3BCYP1A2
SCHEMBL4499397 0.86 GSK3B (0.70) DYRK1AGSK3BAAK1HDAC6LMNA
SCHEMBL4493448 0.86 GSK3B (0.55) GSK3BCYP1A2
SCHEMBL13524671 0.86 DYRK1A (0.71) DYRK1AGSK3BAAK1HDAC6LMNA
SCHEMBL4480196 0.85 FGFR1 (0.65) GSK3BAAK1HDAC6
SCHEMBL4497978 0.85 GSK3B (0.57) GSK3BCYP1A2
SCHEMBL4499351 0.85 DYRK1A (0.63) DYRK1AGSK3BAAK1HDAC6KDR
SCHEMBL4487781 0.83 AAK1 (0.61) GSK3BAAK1GSK3APIK3CDPIM1
SCHEMBL4504591 0.83 GSK3B (0.61) 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