SCHEMBL4745720

SCHEMBL4745720

N#Cc1c[nH]c2ncc(-c3cccc(CS(N)(=O)=O)c3)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.52
WDR77 Q9BQA1 2/20 0.52
NTRK1 P04629 4/20 0.46
PIK3CA P42336 1/20 0.46
AAK1 Q2M2I8 1/20 0.44
NEK1 Q96PY6 1/20 0.43
CHEK1 O14757 2/20 0.43
KIT P10721 1/20 0.43
SGK1 O00141 1/20 0.42
TNIK Q9UKE5 2/20 0.42
LRRK2 Q5S007 2/20 0.42
GSK3B P49841 2/20 0.41
DYRK1A Q13627 2/20 0.41
CDC7 O00311 1/20 0.41
PLK4 O00444 1/20 0.41
AURKA O14965 1/20 0.41
MAPK13 O15264 1/20 0.41
PDPK1 O15530 1/20 0.41
DYRK3 O43781 1/20 0.41
ROCK2 O75116 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
SCHEMBL4744137 0.88 PRMT5 (0.54) PRMT5WDR77NTRK1PIK3CAAAK1
SCHEMBL4745741 0.83 CHUK (0.58) PRMT5WDR77NTRK1PIK3CAAAK1
SCHEMBL4743365 0.77 DYRK1A (0.58) PRMT5WDR77AAK1KITTNIK
SCHEMBL4746500 0.77 TNIK (0.58) PRMT5WDR77NTRK1PIK3CAAAK1
SCHEMBL4743685 0.73 PRMT5 (0.50) PRMT5WDR77PIK3CAAAK1SGK1
SCHEMBL4746507 0.73 DYRK1A (0.56) PRMT5WDR77AAK1NEK1LRRK2
SCHEMBL4747765 0.71 IMPDH2 (0.62) PRMT5WDR77AAK1KITSGK1
SCHEMBL4745695 0.70 DYRK1B (0.64) PRMT5WDR77NTRK1TNIKDYRK1A
SCHEMBL4747692 0.70 TNIK (0.63) PRMT5WDR77NTRK1AAK1NEK1
SCHEMBL21069142 0.70 PRMT5 (0.54) PRMT5WDR77AAK1KITTNIK

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