SCHEMBL4744137

SCHEMBL4744137

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.54
WDR77 Q9BQA1 2/20 0.54
SGK1 O00141 1/20 0.45
TNIK Q9UKE5 7/20 0.44
DYRK1A Q13627 2/20 0.43
AAK1 Q2M2I8 2/20 0.41
CHUK O15111 1/20 0.41
GSK3B P49841 1/20 0.40
KIT P10721 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CHEK1 O14757 1/20 0.40
CLK1 P49759 1/20 0.40
DYRK2 Q92630 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
GAK O14976 1/20 0.39
STK16 O75716 1/20 0.39
PIM1 P11309 1/20 0.39
AXL P30530 1/20 0.39
NEK2 P51955 1/20 0.39
STK3 Q13188 1/20 0.39

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
SCHEMBL4745720 0.88 PRMT5 (0.52) PRMT5WDR77SGK1TNIKDYRK1A
SCHEMBL4743365 0.84 DYRK1A (0.58) PRMT5WDR77TNIKDYRK1AAAK1
SCHEMBL4745695 0.78 DYRK1B (0.64) PRMT5WDR77TNIKDYRK1ACHUK
SCHEMBL4743685 0.78 PRMT5 (0.50) PRMT5WDR77SGK1TNIKDYRK1A
SCHEMBL21069142 0.77 PRMT5 (0.54) PRMT5WDR77TNIKDYRK1AAAK1
SCHEMBL4745741 0.77 CHUK (0.58) PRMT5WDR77TNIKDYRK1AAAK1
SCHEMBL4200987 0.75 MAPK8 (0.60) PRMT5WDR77TNIKDYRK1AAAK1
SCHEMBL4746507 0.75 DYRK1A (0.56) PRMT5WDR77DYRK1AAAK1LRRK2
SCHEMBL4747758 0.75 PRMT5 (0.55) PRMT5WDR77SGK1TNIKDYRK1A
SCHEMBL4743347 0.74 PRMT5 (0.56) PRMT5WDR77TNIKDYRK1AAAK1

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