SCHEMBL12835697

SCHEMBL12835697

CC(C)(C)OC(=O)N[C@H]1CCN(c2cc(N3CCCC3)ccc2C#N)C1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SUV39H2 Q9H5I1 6/20 0.54
CTSK P43235 2/20 0.49
JAK3 P52333 1/20 0.49
BTK Q06187 1/20 0.49
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
RET P07949 4/20 0.46
KDM4D Q6B0I6 2/20 0.45
DPP4 P27487 1/20 0.43
F10 P00742 1/20 0.42
KCNA3 P22001 1/20 0.42

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
SCHEMBL12835985 0.93 SUV39H2 (0.53) SUV39H2CTSKJAK3BTKPIM1
SCHEMBL12835989 0.84 PIM1 (0.58) SUV39H2CTSKJAK3BTKPIM1
SCHEMBL12836149 0.84 SUV39H2 (0.50) SUV39H2CTSKJAK3BTKPIM1
SCHEMBL25597599 0.84 SUV39H2 (0.57) SUV39H2CTSKJAK3BTKRET
SCHEMBL13651242 0.84 SUV39H2 (0.57) SUV39H2CTSKJAK3BTKKDM4D
SCHEMBL12835967 0.83 SUV39H2 (0.49) SUV39H2CTSKJAK3BTKPIM1
SCHEMBL24508115 0.82 SUV39H2 (0.56) SUV39H2CTSKJAK3BTKKDM4D
SCHEMBL29663913 0.82 SUV39H2 (0.56) SUV39H2CTSKJAK3BTKKDM4D
SCHEMBL12835978 0.82 CTSK (0.53) SUV39H2CTSKJAK3BTKPIM1
SCHEMBL5220499 0.82 KDM4D (0.53) SUV39H2CTSKRETKDM4DKCNA3

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
WO-2011025799-A1 CATHEPSIN C INHIBITORS GLAXO GROUP LIMITED (GB) 2011-03-03 WO disclosed