SCHEMBL4743347

SCHEMBL4743347

N#Cc1c[nH]c2ncc(-c3ccc(F)nc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.56
WDR77 Q9BQA1 2/20 0.56
CYP11B2 P19099 2/20 0.52
CYP11B1 P15538 1/20 0.50
AAK1 Q2M2I8 4/20 0.47
LRRK2 Q5S007 1/20 0.47
KIT P10721 1/20 0.43
CLK1 P49759 2/20 0.43
DYRK1A Q13627 2/20 0.43
DYRK2 Q92630 2/20 0.43
DYRK1B Q9Y463 2/20 0.43
CLK2 P49760 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
MAP3K11 Q16584 3/20 0.42
AXL P30530 1/20 0.41
CDK8 P49336 1/20 0.41
TNIK Q9UKE5 1/20 0.41
NTRK1 P04629 2/20 0.41
PIK3CA P42336 1/20 0.41
NEK1 Q96PY6 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
SCHEMBL21069142 0.82 PRMT5 (0.54) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL4200987 0.80 MAPK8 (0.60) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL4746507 0.80 DYRK1A (0.56) PRMT5WDR77AAK1LRRK2CLK1
SCHEMBL4209183 0.78 CYP11B1 (0.49) PRMT5WDR77CYP11B2CYP11B1AAK1
SCHEMBL4744094 0.77 PRMT5 (0.45) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL31049378 0.77 LRRK2 (0.51) PRMT5WDR77AAK1LRRK2
SCHEMBL4746489 0.77 MAPK8 (0.51) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL8256245 0.77 CDK8 (0.57) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL8258473 0.77 CDK8 (0.57) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL4743363 0.76 MAP3K11 (0.58) PRMT5WDR77AAK1LRRK2CLK1

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