SCHEMBL13898415

SCHEMBL13898415

NC(Cc1ccccc1)C(=O)Nc1cccc(Nc2ncc(Br)c(NCCN3CCCCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 14/20 0.51
▸ NTRK1 P04629 3/20 0.51
▸ NUAK1 O60285 3/20 0.51
▸ STK16 O75716 2/20 0.51
▸ CSNK2A2 P19784 2/20 0.51
▸ TYK2 P29597 2/20 0.51
▸ AAK1 Q2M2I8 2/20 0.51
▸ BMP2K Q9NSY1 2/20 0.51
▸ BMPR2 Q13873 2/20 0.51
▸ NUAK2 Q9H093 1/20 0.51
▸ MKNK2 Q9HBH9 1/20 0.51
▸ MARK3 P27448 3/20 0.51
▸ MARK4 Q96L34 3/20 0.51
▸ AURKA O14965 1/20 0.51
▸ PDPK1 O15530 6/20 0.50
▸ STK17A Q9UEE5 2/20 0.50
▸ CDK2 P24941 1/20 0.50
▸ ULK1 O75385 3/20 0.45
▸ PDK1 Q15118 3/20 0.45
▸ ULK2 Q8IYT8 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
SCHEMBL13901503 0.91 ULK1 (0.45) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898412 0.89 TBK1 (0.51) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898430 0.87 TBK1 (0.55) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13897894 0.86 TBK1 (0.49) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13897359 0.85 TBK1 (0.53) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898452 0.85 TBK1 (0.57) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898466 0.85 TBK1 (0.53) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898230 0.85 TBK1 (0.53) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898343 0.85 TBK1 (0.56) TBK1NTRK1NUAK1STK16CSNK2A2
SCHEMBL13898493 0.85 TBK1 (0.49) TBK1NTRK1NUAK1STK16CSNK2A2

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 1 patent. 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
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