SCHEMBL4013844

SCHEMBL4013844

CCN1C(=C(I)C(=O)C(C)C)Sc2ccc(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.38
CLK1 P49759 3/20 0.38
CLK3 P49761 3/20 0.38
DYRK1A Q13627 3/20 0.38
DYRK1B Q9Y463 3/20 0.38
CLK2 P49760 2/20 0.38
CLK4 Q9HAZ1 2/20 0.38
DYRK3 O43781 1/20 0.38
GSK3B P49841 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK4 Q9NR20 1/20 0.38
MAPT P10636 6/20 0.36
HSD17B10 Q99714 4/20 0.36
ALDH1A1 P00352 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
HPGD P15428 3/20 0.36
HTT P42858 3/20 0.36
PIM1 P11309 2/20 0.36
CSNK1D P48730 2/20 0.36

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
SCHEMBL4014357 0.71 CSNK1E (0.42) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL4016027 0.69 CLK1 (0.74) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL2170658 0.69 DYRK1A (0.61) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL29214090 0.68 NOX1 (0.53) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL27719126 0.67 ADRA2A (0.55) MAPTHSD17B10ALDH1A1MEN1KMT2A
SCHEMBL20525389 0.64 LMNA (0.65) MAPTMEN1KMT2ALMNAAPOBEC3A
SCHEMBL11032742 0.61 CYP19A1 (0.42) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL13750429 0.59 LMNA (0.45) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL13750346 0.58 BCHE (0.52) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL8038654 0.58 CLK1 (0.54) CSNK1ECLK1CLK3DYRK1ADYRK1B

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