SCHEMBL14733468

SCHEMBL14733468

CC1C=C(F)C=C(CNC(=N)c2nc3ccc4ncnc(Nc5ccc(Br)cc5F)c4c3s2)C1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.61
DYRK1B Q9Y463 14/20 0.61
GSK3A P49840 3/20 0.61
GSK3B P49841 3/20 0.61
DYRK3 O43781 2/20 0.49
CLK1 P49759 2/20 0.49
CLK2 P49760 2/20 0.49
DYRK2 Q92630 2/20 0.49
CLK4 Q9HAZ1 2/20 0.49
CLK3 P49761 1/20 0.49
DYRK4 Q9NR20 1/20 0.49
CDK1 P06493 1/20 0.42
CDK4 P11802 1/20 0.42
CDK2 P24941 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
SCHEMBL14733516 0.81 DYRK1A (0.68) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733594 0.81 DYRK1A (0.70) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733427 0.81 DYRK1A (0.70) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733519 0.80 DYRK1A (0.65) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL16037543 0.80 DYRK1A (0.65) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733549 0.79 DYRK1A (0.74) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733592 0.79 DYRK1A (0.77) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733467 0.78 DYRK1A (0.69) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL16040009 0.77 DYRK1A (0.64) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL31061183 0.77 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3

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-2013026806-A1 DYRK1 INHIBITORS AND USES THEREOF EXONHIT SA (FR) 2013-02-28 WO disclosed