SCHEMBL4748259

SCHEMBL4748259

Nc1n[nH]c2ccc(-c3ccnc4[nH]ccc34)cc12.Nc1n[nH]c2ccc(-c3ccnc4[nH]ncc34)cc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNK O75909 2/20 0.62
CDK12 Q9NYV4 2/20 0.62
AURKB Q96GD4 2/20 0.50
TLR9 Q9NR96 1/20 0.50
TLR8 Q9NR97 1/20 0.50
TLR7 Q9NYK1 1/20 0.50
AURKA O14965 1/20 0.50
INCENP Q9NQS7 1/20 0.50
TPX2 Q9ULW0 1/20 0.50
PRKCI P41743 4/20 0.49
CHEK1 O14757 2/20 0.47
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CCNA2 P20248 1/20 0.47
CCND1 P24385 1/20 0.47
CDK2 P24941 1/20 0.47
CCND3 P30281 1/20 0.47
NUDT1 P36639 4/20 0.47
JAK2 O60674 3/20 0.45
IKBKB O14920 3/20 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
SCHEMBL4751329 0.92 TLR8 (0.57) CCNKCDK12TLR9TLR8TLR7
SCHEMBL14020099 0.92 CCNK (0.58) CCNKCDK12AURKBAURKAINCENP
SCHEMBL31420118 0.92 CCNK (0.58) CCNKCDK12AURKBAURKAINCENP
SCHEMBL20849864 0.77 CCNK (1.00) CCNKCDK12AURKBAURKAINCENP
SCHEMBL31240700 0.73 CLK2 (0.58) JAK2CLK2JAK3DYRK1A
SCHEMBL4540461 0.73 DYRK1B (0.55) CCNA2CDK2JAK2DAPK3PRKD3
SCHEMBL31240621 0.73 JAK2 (0.50) AURKBAURKAPRKCICDK1CDK2
SCHEMBL26686361 0.72 IKBKB (0.51) AURKBCDK1CDK2JAK2IKBKB
SCHEMBL26888731 0.72 CLK2 (0.51) AURKBCDK1CDK2JAK2DAPK3
SCHEMBL31240519 0.72 TBK1 (0.51) PRKCIJAK2CLK2JAK3DYRK1A

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