SCHEMBL4479634

SCHEMBL4479634

CCCNC(=O)Nc1n[nH]c2cc(-c3cccc(NC(C)=O)c3)ccc12

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 8/20 0.67
MAPT P10636 1/20 0.57
GSK3B P49841 10/20 0.56
GAK O14976 5/20 0.54
STK16 O75716 5/20 0.54
BMP2K Q9NSY1 5/20 0.54
CYP1A2 P05177 2/20 0.52
RIOK3 O14730 1/20 0.51
PIP5K1C O60331 1/20 0.51
CDKL2 Q92772 1/20 0.51
RIOK1 Q9BRS2 1/20 0.51
MYLK2 Q9H1R3 1/20 0.51
TTK P33981 1/20 0.48
MAPK8 P45983 1/20 0.48

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
SCHEMBL4484161 0.94 AAK1 (0.64) AAK1MAPTGSK3BGAKSTK16
SCHEMBL4488792 0.93 AAK1 (0.68) AAK1GSK3BGAKSTK16BMP2K
SCHEMBL4491352 0.91 AAK1 (0.66) AAK1GSK3BGAKSTK16BMP2K
SCHEMBL4494923 0.90 AAK1 (0.64) AAK1GSK3BGAKSTK16BMP2K
SCHEMBL4492082 0.89 AAK1 (0.63) AAK1GSK3BGAKSTK16BMP2K
SCHEMBL4485340 0.88 AAK1 (0.62) AAK1MAPTGSK3BGAKSTK16
SCHEMBL4483440 0.87 AAK1 (0.60) AAK1GSK3B
SCHEMBL4486353 0.86 GSK3B (0.76) AAK1GSK3BCYP1A2
SCHEMBL4480187 0.86 GSK3B (0.59) GSK3BCYP1A2
SCHEMBL4482240 0.85 AAK1 (0.61) AAK1GSK3BGAKSTK16BMP2K

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