SCHEMBL4494664

SCHEMBL4494664

CC(=O)Nc1cccc(-c2ccc3c(NC(=O)NCCN4CCOCC4)n[nH]c3c2)c1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 12/20 0.59
DYRK1A Q13627 3/20 0.49
WNT1 P04628 2/20 0.49
LIMK1 P53667 1/20 0.46
EGFR P00533 1/20 0.46
GAK O14976 5/20 0.45
STK16 O75716 5/20 0.45
BMP2K Q9NSY1 5/20 0.45
AURKA O14965 1/20 0.45
RPS6KB1 P23443 1/20 0.45
EPHX2 P34913 1/20 0.45
MKNK1 Q9BUB5 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
RIOK3 O14730 1/20 0.44
PIP5K1C O60331 1/20 0.44
CDKL2 Q92772 1/20 0.44
RIOK1 Q9BRS2 1/20 0.44
MYLK2 Q9H1R3 1/20 0.44

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
SCHEMBL4486691 0.91 AAK1 (0.61) AAK1DYRK1AWNT1LIMK1GAK
SCHEMBL4486019 0.89 WNT1 (0.51) AAK1DYRK1AWNT1
SCHEMBL4503708 0.86 FGFR1 (0.59) DYRK1AWNT1
SCHEMBL4492127 0.86 GSK3B (0.53) DYRK1AWNT1
SCHEMBL12886064 0.86 AAK1 (0.58) AAK1GAKSTK16BMP2KMKNK1
SCHEMBL4488792 0.85 AAK1 (0.68) AAK1GAKSTK16BMP2KMKNK1
SCHEMBL12886382 0.84 AAK1 (0.58) AAK1GAKSTK16BMP2KMKNK1
SCHEMBL4479634 0.84 AAK1 (0.67) AAK1GAKSTK16BMP2KRIOK3
SCHEMBL4495070 0.83 HDAC6 (0.53)
SCHEMBL4491352 0.83 AAK1 (0.66) AAK1GAKSTK16BMP2KMKNK1

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