SCHEMBL4746489

SCHEMBL4746489

N#Cc1c[nH]c2ncc(-c3cn[nH]c3)cc12

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 1/20 0.51
MAPK9 P45984 1/20 0.51
MAPK10 P53779 1/20 0.51
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
PIK3CA P42336 2/20 0.46
PDPK1 O15530 1/20 0.46
PIK3CG P48736 1/20 0.46
AAK1 Q2M2I8 4/20 0.46
LRRK2 Q5S007 2/20 0.45
MAP3K12 Q12852 5/20 0.42
KIT P10721 1/20 0.42
NTRK1 P04629 2/20 0.40
AXL P30530 1/20 0.40
CDK8 P49336 1/20 0.40
TNIK Q9UKE5 1/20 0.40
MAP3K11 Q16584 1/20 0.40
NEK1 Q96PY6 1/20 0.40

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
SCHEMBL4746448 0.79 PRMT5 (0.49) PRMT5WDR77PIK3CAAAK1LRRK2
SCHEMBL21069142 0.78 PRMT5 (0.54) PRMT5WDR77AAK1LRRK2KIT
SCHEMBL4743683 0.78 PRMT5 (0.53) MAPK8MAPK9PRMT5WDR77PIK3CA
SCHEMBL4743347 0.77 PRMT5 (0.56) PRMT5WDR77PIK3CAAAK1LRRK2
SCHEMBL4200987 0.76 MAPK8 (0.60) MAPK8MAPK9MAPK10PRMT5WDR77
SCHEMBL4746507 0.76 DYRK1A (0.56) PRMT5WDR77AAK1LRRK2MAP3K11
SCHEMBL8256245 0.76 CDK8 (0.57) PRMT5WDR77PIK3CAAAK1LRRK2
SCHEMBL8258473 0.76 CDK8 (0.57) PRMT5WDR77PIK3CAAAK1LRRK2
SCHEMBL8320088 0.76 KIT (0.68) MAPK8MAPK9MAPK10PIK3CAAAK1
SCHEMBL9278508 0.75 ALK (0.54) PRMT5WDR77PDPK1PIK3CGLRRK2

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