SCHEMBL13898099

SCHEMBL13898099

C[C@H](N)C(=O)Nc1cccc(Nc2ncc(Br)c(NCCCN)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK17A Q9UEE5 5/20 0.55
▸ STK17B O94768 1/20 0.55
▸ ULK1 O75385 1/20 0.54
▸ PDK1 Q15118 1/20 0.54
▸ ULK2 Q8IYT8 1/20 0.54
▸ PDPK1 O15530 5/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ TBK1 Q9UHD2 13/20 0.51
▸ MARK3 P27448 2/20 0.51
▸ MARK4 Q96L34 2/20 0.51
▸ MET P08581 1/20 0.51
▸ ALK Q9UM73 1/20 0.51
▸ AURKA O14965 1/20 0.48
▸ NUAK1 O60285 1/20 0.47
▸ STK16 O75716 1/20 0.47
▸ NTRK1 P04629 1/20 0.47
▸ CSNK2A2 P19784 1/20 0.47
▸ TYK2 P29597 1/20 0.47
▸ BMPR2 Q13873 1/20 0.47
▸ AAK1 Q2M2I8 1/20 0.47

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
SCHEMBL13901406 0.89 ULK1 (0.54) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13898230 0.87 TBK1 (0.53) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13897359 0.87 TBK1 (0.53) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13897952 0.86 STK17A (0.56) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13898239 0.82 STK17A (0.54) STK17ASTK17BULK1PDK1ULK2
SCHEMBL3865350 0.81 ULK1 (0.80) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13897906 0.81 PDPK1 (0.75) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13898270 0.81 TBK1 (0.51) STK17AULK1PDK1ULK2PDPK1
SCHEMBL13897358 0.80 ULK1 (0.58) STK17ASTK17BULK1PDK1ULK2
SCHEMBL13898466 0.79 TBK1 (0.53) STK17ASTK17BULK1PDK1ULK2

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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