SCHEMBL8031570

SCHEMBL8031570

CC(=O)/C=C1\Sc2ccc(N3CCOCC3)cc2N1Cc1cccc(Cl)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 9/20 0.69
DYRK1A Q13627 8/20 0.69
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
HPGD P15428 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CSNK1E P49674 3/20 0.43
CLK3 P49761 3/20 0.43
DYRK1B Q9Y463 3/20 0.43
CLK2 P49760 2/20 0.43
CLK4 Q9HAZ1 2/20 0.43
DYRK3 O43781 1/20 0.43
GSK3B P49841 1/20 0.43
DYRK2 Q92630 1/20 0.43
DYRK4 Q9NR20 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
AKR1C3 P42330 1/20 0.43
PIM1 P11309 2/20 0.41

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
SCHEMBL8029984 0.90 CLK1 (0.68) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL8035664 0.87 CLK1 (0.56) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL4017395 0.83 CLK1 (0.63) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL4012583 0.82 CLK1 (1.00) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL8029982 0.81 CLK1 (0.70) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL8036722 0.79 DYRK1A (0.76) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL4018146 0.79 CLK1 (0.74) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL4018139 0.79 CLK1 (0.74) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL4453543 0.78 CLK1 (0.59) CLK1DYRK1AMEN1ALDH1A1LMNA
SCHEMBL4170182 0.77 CLK1 (0.58) CLK1DYRK1AMEN1ALDH1A1LMNA

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-2009085226-A2 INHIBITORS OF CDC2-LIKE KINASES (CLKS) AND METHODS OF USE THEREOF SIRTRIS PHARMACEUTICALS, INC. (US) 2009-07-09 WO disclosed