SCHEMBL8029989

SCHEMBL8029989

COCCNc1ccc2c(c1)N(CCN1CCCC1)/C(=C/C(C)=O)S2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 8/20 0.47
HTR2A P28223 2/20 0.47
HTR2C P28335 2/20 0.47
CLK1 P49759 7/20 0.46
CSNK1E P49674 3/20 0.46
CLK3 P49761 3/20 0.46
DYRK1B Q9Y463 3/20 0.46
HSD17B10 Q99714 3/20 0.46
PIM1 P11309 2/20 0.46
CSNK1D P48730 2/20 0.46
CSNK1G2 P78368 2/20 0.46
MAP3K19 Q56UN5 2/20 0.46
PIM3 Q86V86 2/20 0.46
CSNK1G3 Q9Y6M4 2/20 0.46
CLK2 P49760 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
GAA P10253 1/20 0.46
APOBEC3A P31941 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
APOBEC3G Q9HC16 1/20 0.46

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
SCHEMBL8029996 0.93 DYRK1A (0.46) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4012416 0.85 DYRK1A (0.64) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4011552 0.83 DYRK1A (0.46) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL8029736 0.81 DYRK1A (0.70) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL8031314 0.81 CLK1 (0.64) DYRK1ACLK1CSNK1ECLK3DYRK1B
SCHEMBL8029999 0.80 DYRK1A (0.69) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4157537 0.80 CLK1 (0.65) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL4157531 0.80 CLK1 (0.65) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL8020238 0.79 DYRK1A (0.56) DYRK1AHTR2AHTR2CCLK1CSNK1E
SCHEMBL8020232 0.78 DYRK1A (0.70) DYRK1AHTR2AHTR2CCLK1CSNK1E

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