SCHEMBL4743363

SCHEMBL4743363

N#Cc1c[nH]c2ncc(-c3ccc4cc[nH]c4c3)cc12

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP3K11 Q16584 13/20 0.58
DYRK1A Q13627 3/20 0.53
DYRK2 Q92630 2/20 0.53
DYRK1B Q9Y463 2/20 0.53
CLK1 P49759 1/20 0.53
PRMT5 O14744 1/20 0.52
WDR77 Q9BQA1 1/20 0.52
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 2/20 0.50
LRRK2 Q5S007 4/20 0.49
CYP2C9 P11712 1/20 0.49
RIPK1 Q13546 1/20 0.47
AAK1 Q2M2I8 1/20 0.46
ROCK2 O75116 2/20 0.45
ABL1 P00519 2/20 0.45
NTRK1 P04629 2/20 0.45
INSR P06213 2/20 0.45
CDK1 P06493 2/20 0.45
SRC P12931 2/20 0.45
FLT1 P17948 2/20 0.45

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
SCHEMBL4744349 0.84 FGFR1 (0.56) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL4743683 0.79 PRMT5 (0.53) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL4746507 0.78 DYRK1A (0.56) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL21069142 0.78 PRMT5 (0.54) DYRK1ADYRK2DYRK1BCLK1PRMT5
SCHEMBL4744090 0.77 PLCG1 (0.47) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL4743347 0.76 PRMT5 (0.56) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL4200987 0.75 MAPK8 (0.60) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL12762993 0.75 MAP3K11 (0.75) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL723789 0.74 MAP3K11 (1.00) MAP3K11DYRK1ADYRK2DYRK1BCLK1
SCHEMBL4746489 0.73 MAPK8 (0.51) MAP3K11PRMT5WDR77LRRK2AAK1

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