SCHEMBL28685100

SCHEMBL28685100

NC(=O)c1nc(OC2CCCCC2)cnc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 3/20 0.44
PDGFRA P16234 3/20 0.44
PARP10 Q53GL7 2/20 0.38
S1PR1 P21453 2/20 0.38
MKNK1 Q9BUB5 2/20 0.38
MKNK2 Q9HBH9 2/20 0.38
PDE4A P27815 2/20 0.38
PDE4B Q07343 2/20 0.38
PDE4C Q08493 2/20 0.38
PDE4D Q08499 2/20 0.38
LOX P28300 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
ABL1 P00519 1/20 0.36
FFAR4 Q5NUL3 1/20 0.35
MAP4K4 O95819 1/20 0.34
EGFR P00533 1/20 0.33
LCK P06239 1/20 0.33
JAK3 P52333 1/20 0.33
BTK Q06187 1/20 0.33
ACACB O00763 1/20 0.33

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
SCHEMBL28707329 0.99 PDGFRB (0.43) PDGFRBPDGFRAPARP10S1PR1MKNK1
SCHEMBL30253716 0.96 PARP10 (0.42) PDGFRBPDGFRAPARP10S1PR1MKNK1
SCHEMBL28685072 0.96 PARP10 (0.42) PDGFRBPDGFRAPARP10S1PR1MKNK1
SCHEMBL28707299 0.81 PARP10 (0.48) PARP10MAP4K4PARP15
SCHEMBL28644569 0.73 SIRT6 (0.51) MKNK1MKNK2MAP4K4
SCHEMBL28698965 0.72 SIRT6 (0.33)
SCHEMBL30253497 0.72 SIRT6 (0.33)
SCHEMBL28685074 0.71 MAPT (0.39) PARP10MKNK1MKNK2
SCHEMBL28691237 0.71 IKBKB (0.39) MKNK1MKNK2LOXABL1
SCHEMBL30253592 0.71 IKBKB (0.39) MKNK1MKNK2LOXABL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113336713-A Preparation method of alkoxy pyrazine derivative and alkoxy pyrazine derivative 中国人民解放军军事科学院军事医学研究院 2021-09-03 CN claimed
CN-113336713-B Preparation method of alkoxy pyrazine derivative and alkoxy pyrazine derivative 中国人民解放军军事科学院军事医学研究院 2023-03-17 CN disclosed
CN-113336713-A Preparation method of alkoxy pyrazine derivative and alkoxy pyrazine derivative 中国人民解放军军事科学院军事医学研究院 2021-09-03 CN disclosed