SCHEMBL4747758

SCHEMBL4747758

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.55
WDR77 Q9BQA1 2/20 0.55
AAK1 Q2M2I8 6/20 0.47
KIT P10721 3/20 0.46
AXL P30530 4/20 0.44
TNIK Q9UKE5 2/20 0.44
GAK O14976 1/20 0.44
STK16 O75716 1/20 0.44
PIM1 P11309 1/20 0.44
NEK2 P51955 1/20 0.44
STK3 Q13188 1/20 0.44
STK11 Q15831 1/20 0.44
BMP2K Q9NSY1 1/20 0.44
CLK1 P49759 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK2 Q92630 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
PRKAB2 O43741 1/20 0.41
PRKAG1 P54619 1/20 0.41
PRKAA2 P54646 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
SCHEMBL4747765 0.79 IMPDH2 (0.62) PRMT5WDR77AAK1KITAXL
SCHEMBL4743697 0.76 PRMT5 (0.53) PRMT5WDR77AAK1KITAXL
SCHEMBL21069142 0.76 PRMT5 (0.54) PRMT5WDR77AAK1KITAXL
SCHEMBL4743365 0.75 DYRK1A (0.58) PRMT5WDR77AAK1KITTNIK
SCHEMBL4744137 0.75 PRMT5 (0.54) PRMT5WDR77AAK1KITAXL
SCHEMBL4200987 0.73 MAPK8 (0.60) PRMT5WDR77AAK1KITAXL
SCHEMBL4746507 0.73 DYRK1A (0.56) PRMT5WDR77AAK1CLK1DYRK1A
SCHEMBL4747825 0.73 PRMT5 (0.49) PRMT5WDR77AAK1KITAXL
SCHEMBL14069153 0.73 L3MBTL1 (0.46) PRMT5WDR77AAK1KITAXL
SCHEMBL4743370 0.72 AAK1 (0.55) PRMT5WDR77AAK1AXLTNIK

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