SCHEMBL17060593

SCHEMBL17060593

NC(=O)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4F)c3c2s1

nearest known ligand 0.81

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 20/20 0.81
DYRK1B Q9Y463 10/20 0.81
GSK3A P49840 3/20 0.59
GSK3B P49841 3/20 0.59
DYRK3 O43781 2/20 0.59
CLK1 P49759 2/20 0.59
CLK2 P49760 2/20 0.59
DYRK2 Q92630 2/20 0.59
CLK4 Q9HAZ1 2/20 0.59
CDK1 P06493 1/20 0.59
CDK4 P11802 1/20 0.59
CDK2 P24941 1/20 0.59
CLK3 P49761 1/20 0.57
DYRK4 Q9NR20 1/20 0.57

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
SCHEMBL14722544 0.90 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL17060590 0.90 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL17060604 0.90 DYRK1A (0.81) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733501 0.88 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL17060607 0.88 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL17060622 0.85 DYRK1A (0.78) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL31061081 0.84 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL14733473 0.84 DYRK1A (1.00) DYRK1ADYRK1BGSK3AGSK3BDYRK3
SCHEMBL17060609 0.84 DYRK1A (1.00) DYRK1ADYRK1B
SCHEMBL14733429 0.84 DYRK1A (1.00) DYRK1ADYRK1B

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
EP-2744797-B1 DYRK1 INHIBITORS AND USES THEREOF DIAXONHIT (FR) 2015-09-09 EP claimed