SCHEMBL4744090

SCHEMBL4744090

N#Cc1c[nH]c2ncc(-c3cccc4[nH]ccc34)cc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLCG1 P19174 1/20 0.47
MAP3K11 Q16584 3/20 0.45
PIK3CD O00329 3/20 0.45
LRRK2 Q5S007 1/20 0.45
PRKCQ Q04759 3/20 0.44
PRKCD Q05655 2/20 0.44
PRMT5 O14744 1/20 0.43
WDR77 Q9BQA1 1/20 0.43
PIK3CB P42338 2/20 0.43
AAK1 Q2M2I8 1/20 0.43
PIK3CG P48736 1/20 0.43
NTRK1 P04629 2/20 0.42
PIK3CA P42336 1/20 0.42
PIP4K2A P48426 1/20 0.42
PIP4K2B P78356 1/20 0.42
PIP4K2C Q8TBX8 1/20 0.42
NEK1 Q96PY6 1/20 0.42
IMPDH2 P12268 1/20 0.42
IMPDH1 P20839 1/20 0.42
HPGDS O60760 1/20 0.42

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
SCHEMBL4746434 0.79 KIT (0.56) PLCG1LRRK2PRMT5WDR77AAK1
SCHEMBL4209183 0.79 CYP11B1 (0.49) LRRK2PRMT5WDR77AAK1NTRK1
SCHEMBL4743363 0.77 MAP3K11 (0.58) MAP3K11LRRK2PRMT5WDR77AAK1
SCHEMBL4199507 0.74 CAMKK2 (0.61) LRRK2PRMT5WDR77AAK1
SCHEMBL4746448 0.72 PRMT5 (0.49) MAP3K11LRRK2PRMT5WDR77AAK1
SCHEMBL21069142 0.71 PRMT5 (0.54) LRRK2PRMT5WDR77AAK1CYP3A4
SCHEMBL4351841 0.71 CHEK1 (0.58) LRRK2PRMT5WDR77AAK1NTRK1
SCHEMBL4743347 0.70 PRMT5 (0.56) MAP3K11LRRK2PRMT5WDR77AAK1
SCHEMBL29709511 0.70 ASH1L (0.50) PIK3CDPRKCQPRKCDPIK3CBPIK3CG
SCHEMBL6321495 0.70 PIK3CD (0.48) PIK3CDLRRK2PRKCQPRKCDPIK3CB

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