SCHEMBL4746448

SCHEMBL4746448

N#Cc1c[nH]c2ncc(-c3cc[nH]n3)cc12

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.49
WDR77 Q9BQA1 2/20 0.49
LRRK2 Q5S007 1/20 0.46
AAK1 Q2M2I8 5/20 0.43
MAP3K12 Q12852 4/20 0.42
KIT P10721 2/20 0.40
NTRK1 P04629 2/20 0.38
PIK3CA P42336 1/20 0.38
NEK1 Q96PY6 1/20 0.38
MAP3K11 Q16584 1/20 0.38
AXL P30530 1/20 0.38
CDK8 P49336 1/20 0.38
TNIK Q9UKE5 1/20 0.38
CCNT1 O60563 1/20 0.37
CDK9 P50750 1/20 0.37
HASPIN Q8TF76 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
SCHEMBL19937778 0.79 BTK (0.47) PRMT5WDR77MAP3K12KITAXL
SCHEMBL4746489 0.79 MAPK8 (0.51) PRMT5WDR77LRRK2AAK1MAP3K12
SCHEMBL19937614 0.76 PRMT5 (0.49) PRMT5WDR77MAP3K12
SCHEMBL21069142 0.75 PRMT5 (0.54) PRMT5WDR77LRRK2AAK1KIT
SCHEMBL4743347 0.74 PRMT5 (0.56) PRMT5WDR77LRRK2AAK1KIT
SCHEMBL4200987 0.73 MAPK8 (0.60) PRMT5WDR77LRRK2AAK1MAP3K12
SCHEMBL8256245 0.73 CDK8 (0.57) PRMT5WDR77LRRK2AAK1MAP3K12
SCHEMBL8258473 0.73 CDK8 (0.57) PRMT5WDR77LRRK2AAK1MAP3K12
SCHEMBL4746507 0.73 DYRK1A (0.56) PRMT5WDR77LRRK2AAK1NEK1
SCHEMBL4743363 0.73 MAP3K11 (0.58) PRMT5WDR77LRRK2AAK1NTRK1

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