SCHEMBL4744094

SCHEMBL4744094

N#Cc1c[nH]c2ncc(-c3cc(F)cc(Cl)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
KIT P10721 1/20 0.42
AAK1 Q2M2I8 2/20 0.41
LRRK2 Q5S007 3/20 0.40
BTK Q06187 4/20 0.40
ITK Q08881 4/20 0.40
AXL P30530 1/20 0.40
MAP3K12 Q12852 4/20 0.39
CHUK O15111 1/20 0.38
CLK1 P49759 1/20 0.38
CLK2 P49760 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
MAP3K11 Q16584 1/20 0.37
MAP4K4 O95819 1/20 0.37

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 0.81 PRMT5 (0.54) PRMT5WDR77KITAAK1LRRK2
SCHEMBL4743347 0.77 PRMT5 (0.56) PRMT5WDR77KITAAK1LRRK2
SCHEMBL31049378 0.77 LRRK2 (0.51) PRMT5WDR77AAK1LRRK2MAP3K12
SCHEMBL4746489 0.74 MAPK8 (0.51) PRMT5WDR77KITAAK1LRRK2
SCHEMBL4209183 0.73 CYP11B1 (0.49) PRMT5WDR77AAK1LRRK2AXL
SCHEMBL8256245 0.71 CDK8 (0.57) PRMT5WDR77KITAAK1LRRK2
SCHEMBL8258473 0.71 CDK8 (0.57) PRMT5WDR77KITAAK1LRRK2
SCHEMBL4200987 0.71 MAPK8 (0.60) PRMT5WDR77KITAAK1LRRK2
SCHEMBL4746507 0.71 DYRK1A (0.56) PRMT5WDR77AAK1LRRK2CLK1
SCHEMBL9278508 0.70 ALK (0.54) PRMT5WDR77LRRK2MAP3K12

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