SCHEMBL4743377

SCHEMBL4743377

N#Cc1c[nH]c2ncc(-c3ccc(NC(=O)CCNC(=O)O)cc3)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
CLK1 P49759 2/20 0.44
DYRK1A Q13627 2/20 0.44
DYRK2 Q92630 2/20 0.44
DYRK1B Q9Y463 2/20 0.44
BTK Q06187 2/20 0.42
ITK Q08881 2/20 0.42
RIPK1 Q13546 2/20 0.41
IGF1R P08069 1/20 0.41
AXL P30530 4/20 0.41
TNIK Q9UKE5 2/20 0.41
GAK O14976 1/20 0.41
STK16 O75716 1/20 0.41
PIM1 P11309 1/20 0.41
NEK2 P51955 1/20 0.41
STK3 Q13188 1/20 0.41
STK11 Q15831 1/20 0.41
AAK1 Q2M2I8 1/20 0.41
BMP2K Q9NSY1 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
SCHEMBL4746451 0.89 BTK (0.56) BTKITKRIPK1IGF1RCDK8
SCHEMBL14069152 0.86 PRMT5 (0.42) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL4743370 0.79 AAK1 (0.55) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL14069150 0.77 BTK (0.50) BTKITKSGK1CDK8
SCHEMBL4162816 0.73 CDK8 (0.45) BTKITKAXLAAK1SGK1
SCHEMBL4743697 0.72 PRMT5 (0.53) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL4745695 0.72 DYRK1B (0.64) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL21069142 0.72 PRMT5 (0.54) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL4747758 0.72 PRMT5 (0.55) PRMT5WDR77CLK1DYRK1ADYRK2
SCHEMBL8254990 0.71 TNIK (0.51) PRMT5WDR77RIPK1AXLTNIK

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