SCHEMBL4785608

SCHEMBL4785608

CC(C)(C)[CH]c1ccc(-c2cnc3[nH]cc(C#N)c3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.48
WDR77 Q9BQA1 1/20 0.48
AAK1 Q2M2I8 6/20 0.45
KIT P10721 2/20 0.44
LRRK2 Q5S007 1/20 0.42
CLK1 P49759 1/20 0.41
DYRK1A Q13627 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
SGK1 O00141 2/20 0.41
TNIK Q9UKE5 3/20 0.40
AXL P30530 1/20 0.40
CDK8 P49336 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK9 P45984 1/20 0.40
MAPK10 P53779 1/20 0.40
GSK3B P49841 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
SCHEMBL4200987 0.80 MAPK8 (0.60) PRMT5WDR77AAK1KITLRRK2
SCHEMBL21069142 0.79 PRMT5 (0.54) PRMT5WDR77AAK1KITLRRK2
SCHEMBL4747825 0.77 PRMT5 (0.49) PRMT5WDR77AAK1KITLRRK2
SCHEMBL4743347 0.76 PRMT5 (0.56) PRMT5WDR77AAK1KITLRRK2
SCHEMBL4745695 0.75 DYRK1B (0.64) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL4743697 0.75 PRMT5 (0.53) PRMT5WDR77AAK1KITCLK1
SCHEMBL4746507 0.74 DYRK1A (0.56) PRMT5WDR77AAK1LRRK2CLK1
SCHEMBL4743365 0.74 DYRK1A (0.58) PRMT5WDR77AAK1KITLRRK2
SCHEMBL4746489 0.72 MAPK8 (0.51) PRMT5WDR77AAK1KITLRRK2
SCHEMBL4743685 0.72 PRMT5 (0.50) PRMT5WDR77AAK1LRRK2DYRK1A

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 2 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