SCHEMBL4751329

SCHEMBL4751329

Nc1n[nH]c2ccc(-c3ccnc4[nH]ncc34)cc12

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.57
TLR7 Q9NYK1 5/20 0.57
TLR9 Q9NR96 4/20 0.57
NUDT1 P36639 1/20 0.54
CHEK1 O14757 1/20 0.54
JAK2 O60674 6/20 0.52
JAK1 P23458 1/20 0.50
TYK2 P29597 1/20 0.50
JAK3 P52333 1/20 0.50
PRKCQ Q04759 6/20 0.49
ROCK2 O75116 1/20 0.49
PRKCD Q05655 1/20 0.49
ROCK1 Q13464 1/20 0.49
BRD4 O60885 1/20 0.49
CCNK O75909 1/20 0.48
CDK12 Q9NYV4 1/20 0.48

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
SCHEMBL4748259 0.92 CCNK (0.62) TLR8TLR7TLR9NUDT1CHEK1
SCHEMBL31420118 0.81 CCNK (0.58) NUDT1CHEK1JAK2JAK1TYK2
SCHEMBL14020099 0.81 CCNK (0.58) NUDT1CHEK1JAK2JAK1TYK2
SCHEMBL31240700 0.80 CLK2 (0.58) JAK2JAK1TYK2JAK3
SCHEMBL26686361 0.79 IKBKB (0.51) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL26888731 0.79 CLK2 (0.51) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL31240621 0.77 JAK2 (0.50) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL31240523 0.77 CLK2 (0.67) JAK2
SCHEMBL26686456 0.76 JAK2 (0.55) JAK2JAK1TYK2JAK3ROCK2
SCHEMBL31420209 0.76 NUDT1 (0.57) NUDT1JAK2JAK1TYK2JAK3

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-2008132121-A1 LH-INDAZOLE-3-AMINE COMPOUNDS AS IKK1 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-11-06 WO disclosed
WO-2008132121-A1 LH-INDAZOLE-3-AMINE COMPOUNDS AS IKK1 INHIBITORS GLAXO GROUP LIMITED (GB) 2008-11-06 WO disclosed