SCHEMBL4014357

SCHEMBL4014357

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1E P49674 3/20 0.42
CLK1 P49759 3/20 0.42
CLK3 P49761 3/20 0.42
DYRK1A Q13627 3/20 0.42
DYRK1B Q9Y463 3/20 0.42
CLK2 P49760 2/20 0.42
CLK4 Q9HAZ1 2/20 0.42
DYRK3 O43781 1/20 0.42
GSK3B P49841 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK4 Q9NR20 1/20 0.42
KMT2A Q03164 8/20 0.40
MEN1 O00255 7/20 0.40
MAPT P10636 6/20 0.40
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
HSD17B10 Q99714 3/20 0.40
PIM1 P11309 3/20 0.40
CSNK1D P48730 2/20 0.40
CSNK1G2 P78368 2/20 0.40

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
SCHEMBL4012474 0.83 HDAC3 (0.39) CLK1DYRK1AKMT2AMEN1ALDH1A1
SCHEMBL4012996 0.82 NOX1 (0.40) KMT2AMEN1MAPTLMNAPIM1
SCHEMBL2170658 0.82 DYRK1A (0.61) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL4012671 0.75 CLK1 (0.74) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL18166903 0.75 CLK1 (0.74) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL4013844 0.71 CSNK1E (0.38) CSNK1ECLK1CLK3DYRK1ADYRK1B
SCHEMBL31436172 0.70 PIM1 (0.55) MAPTALDH1A1LMNAHSD17B10PIM1
SCHEMBL15237156 0.64 DRD2 (0.49) KMT2AMAPTALDH1A1LMNAPIM1
SCHEMBL11593986 0.62 MEN1 (0.52) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL4018094 0.62 CLK1 (0.64) 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