SCHEMBL4743365

SCHEMBL4743365

N#Cc1c[nH]c2ncc(-c3ccc(S(N)(=O)=O)cc3)cc12

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.58
CHUK O15111 8/20 0.58
PRMT5 O14744 2/20 0.54
WDR77 Q9BQA1 2/20 0.54
IKBKB O14920 6/20 0.54
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA2 P00918 2/20 0.46
CA9 Q16790 2/20 0.46
AAK1 Q2M2I8 1/20 0.43
GSK3B P49841 1/20 0.43
LRRK2 Q5S007 1/20 0.43
KIT P10721 1/20 0.42
CLK1 P49759 1/20 0.42
DYRK2 Q92630 1/20 0.42
DYRK1B Q9Y463 1/20 0.42
MAPK10 P53779 1/20 0.42
TNIK Q9UKE5 1/20 0.41

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
SCHEMBL4745741 0.87 CHUK (0.58) DYRK1ACHUKPRMT5WDR77IKBKB
SCHEMBL4743685 0.85 PRMT5 (0.50) DYRK1APRMT5WDR77AAK1GSK3B
SCHEMBL4744137 0.84 PRMT5 (0.54) DYRK1ACHUKPRMT5WDR77AAK1
SCHEMBL31430967 0.81 PRMT5 (0.44) DYRK1ACHUKPRMT5WDR77IKBKB
SCHEMBL4745695 0.81 DYRK1B (0.64) DYRK1ACHUKPRMT5WDR77IKBKB
SCHEMBL21069142 0.80 PRMT5 (0.54) DYRK1APRMT5WDR77AAK1GSK3B
SCHEMBL4200987 0.78 MAPK8 (0.60) DYRK1APRMT5WDR77AAK1GSK3B
SCHEMBL4746507 0.78 DYRK1A (0.56) DYRK1APRMT5WDR77AAK1LRRK2
SCHEMBL28315234 0.78 KIT (0.53) DYRK1APRMT5WDR77CA12CA1
SCHEMBL4745720 0.77 PRMT5 (0.52) DYRK1ACHUKPRMT5WDR77IKBKB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO claimed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed
WO-2008110508-A1 PYRROLO-PYRIDINE DERIVATIVES FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH INAPPROPRIATE IKK1 ACTIVITY GLAXO GROUP LIMITED (GB) 2008-09-18 WO disclosed