SCHEMBL13897358

SCHEMBL13897358

NCCCNc1nc(Nc2cccc(NC(=O)C3(N)CCCCC3)c2)ncc1Br

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ULK1 O75385 1/20 0.58
▸ PDK1 Q15118 1/20 0.58
▸ ULK2 Q8IYT8 1/20 0.58
▸ TBK1 Q9UHD2 13/20 0.53
▸ STK17A Q9UEE5 4/20 0.53
▸ MARK3 P27448 2/20 0.53
▸ MARK4 Q96L34 2/20 0.53
▸ PDPK1 O15530 5/20 0.53
▸ CDK2 P24941 1/20 0.53
▸ STK17B O94768 2/20 0.52
▸ NUAK1 O60285 1/20 0.50
▸ STK16 O75716 1/20 0.50
▸ NTRK1 P04629 1/20 0.50
▸ CSNK2A2 P19784 1/20 0.50
▸ TYK2 P29597 1/20 0.50
▸ BMPR2 Q13873 1/20 0.50
▸ AAK1 Q2M2I8 1/20 0.50
▸ NUAK2 Q9H093 1/20 0.50
▸ MKNK2 Q9HBH9 1/20 0.50
▸ BMP2K Q9NSY1 1/20 0.50

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
SCHEMBL3868146 0.86 PDPK1 (0.74) ULK1PDK1ULK2TBK1STK17A
SCHEMBL3869315 0.83 TBK1 (0.51) ULK1PDK1ULK2TBK1STK17A
SCHEMBL3865033 0.83 PDPK1 (0.74) ULK1PDK1ULK2TBK1STK17A
SCHEMBL3865350 0.82 ULK1 (0.80) ULK1PDK1ULK2TBK1STK17A
SCHEMBL3868849 0.81 PDPK1 (0.74) ULK1PDK1ULK2TBK1STK17A
SCHEMBL13897952 0.81 STK17A (0.56) ULK1PDK1ULK2TBK1STK17A
SCHEMBL13898099 0.80 STK17A (0.55) ULK1PDK1ULK2TBK1STK17A
SCHEMBL3869524 0.80 ULK1 (0.76) ULK1PDK1ULK2TBK1STK17A
SCHEMBL13898239 0.79 STK17A (0.54) ULK1PDK1ULK2TBK1STK17A
SCHEMBL13898241 0.77 PDPK1 (0.57) ULK1PDK1ULK2TBK1STK17A

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
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