SCHEMBL13897707

SCHEMBL13897707

O=C(O)CC(=O)NCCCNc1nc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1Br

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 16/20 0.77
▸ MARK3 P27448 3/20 0.77
▸ MARK4 Q96L34 3/20 0.77
▸ STK17A Q9UEE5 3/20 0.77
▸ PDPK1 O15530 6/20 0.74
▸ CDK2 P24941 1/20 0.74
▸ AURKA O14965 1/20 0.66
▸ ULK1 O75385 3/20 0.64
▸ PDK1 Q15118 3/20 0.64
▸ ULK2 Q8IYT8 3/20 0.64
▸ NUAK1 O60285 2/20 0.62
▸ TYK2 P29597 2/20 0.62
▸ AAK1 Q2M2I8 2/20 0.62
▸ MKNK2 Q9HBH9 2/20 0.62
▸ STK16 O75716 1/20 0.62
▸ NTRK1 P04629 1/20 0.62
▸ CSNK2A2 P19784 1/20 0.62
▸ BMPR2 Q13873 1/20 0.62
▸ NUAK2 Q9H093 1/20 0.62
▸ BMP2K Q9NSY1 1/20 0.62

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
SCHEMBL13898146 0.92 TBK1 (0.78) TBK1MARK3MARK4STK17APDPK1
SCHEMBL3875677 0.92 TBK1 (0.77) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13898109 0.92 TBK1 (0.77) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13898042 0.91 TBK1 (0.74) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13897664 0.90 TBK1 (0.75) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13898107 0.90 TBK1 (0.75) TBK1MARK3MARK4STK17APDPK1
SCHEMBL3874632 0.90 TBK1 (0.77) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13897784 0.90 TBK1 (0.79) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13898382 0.90 TBK1 (0.73) TBK1MARK3MARK4STK17APDPK1
SCHEMBL13898209 0.90 TBK1 (0.79) TBK1MARK3MARK4STK17APDPK1

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
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
US-7504410-B2 Chk-, Pdk- and Akt-inhibitory pyrimidines, their production and use as pharmaceutical agents SCHERING AKTIENGESELLSCHAFT (DE) 2009-03-17 — — US disclosed
Send feedback