SCHEMBL4746434

SCHEMBL4746434

Cc1ccccc1-c1cnc2[nH]cc(C#N)c2c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.56
LRRK2 Q5S007 4/20 0.54
PRMT5 O14744 2/20 0.46
WDR77 Q9BQA1 2/20 0.46
AXL P30530 1/20 0.46
CDK8 P49336 1/20 0.46
TNIK Q9UKE5 1/20 0.46
AAK1 Q2M2I8 2/20 0.45
PLCG1 P19174 1/20 0.43
NTRK1 P04629 2/20 0.42
PIK3CA P42336 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
NEK1 Q96PY6 1/20 0.42
AR P10275 1/20 0.42
MET P08581 1/20 0.42
GSK3B P49841 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
SCHEMBL4209183 0.84 CYP11B1 (0.49) LRRK2PRMT5WDR77AXLCDK8
SCHEMBL4199507 0.79 CAMKK2 (0.61) LRRK2PRMT5WDR77AXLCDK8
SCHEMBL4744090 0.79 PLCG1 (0.47) LRRK2PRMT5WDR77AAK1PLCG1
SCHEMBL14069155 0.77 PRMT5 (0.41) KITPRMT5WDR77AAK1
SCHEMBL13199611 0.75 LRRK2 (0.51) LRRK2PRMT5WDR77AAK1
SCHEMBL4200987 0.75 MAPK8 (0.60) KITLRRK2PRMT5WDR77AXL
SCHEMBL20846157 0.75 LRRK2 (0.49) KITLRRK2AXLCDK8TNIK
SCHEMBL4747127 0.74 MAPK14 (0.55) TNIK
SCHEMBL21069142 0.74 PRMT5 (0.54) KITLRRK2PRMT5WDR77AXL
SCHEMBL4351841 0.74 CHEK1 (0.58) LRRK2PRMT5WDR77AXLCDK8

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