SCHEMBL4483440

SCHEMBL4483440

CC(=O)Nc1cccc(-c2ccc3c(NC(=O)NCCCc4ccccc4)n[nH]c3c2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 4/20 0.60
GSK3B P49841 5/20 0.51
BRAF P15056 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ROCK2 O75116 1/20 0.48
ROCK1 Q13464 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
KDM4E B2RXH2 1/20 0.47
EPHX1 P07099 1/20 0.47
MKNK1 Q9BUB5 1/20 0.47
MKNK2 Q9HBH9 1/20 0.47
GSK3A P49840 1/20 0.47

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
SCHEMBL4485340 0.94 AAK1 (0.62) AAK1GSK3BBRAFKMT2AMEN1
SCHEMBL4484161 0.89 AAK1 (0.64) AAK1GSK3B
SCHEMBL4494923 0.89 AAK1 (0.64) AAK1GSK3BHDAC1HDAC2HDAC8
SCHEMBL4492082 0.88 AAK1 (0.63) AAK1GSK3BHDAC1HDAC2HDAC8
SCHEMBL4488792 0.88 AAK1 (0.68) AAK1GSK3BMKNK1MKNK2FGFR2
SCHEMBL4479634 0.87 AAK1 (0.67) AAK1GSK3B
SCHEMBL4492570 0.86 GSK3B (0.59) GSK3BKMT2AMEN1ALDH1A1ROCK2
SCHEMBL4491352 0.86 AAK1 (0.66) AAK1GSK3BMKNK1MKNK2FGFR2
SCHEMBL4487369 0.85 HDAC1 (0.61) GSK3BKMT2AMEN1HDAC1HDAC2
SCHEMBL4480524 0.84 AAK1 (0.58) AAK1GSK3BSMN1; SMN2PTGIRFGFR1

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