SCHEMBL28707299

SCHEMBL28707299

NC(=O)c1nc(OCC2CCCCC2)cnc1O

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 7/20 0.48
PARP15 Q460N3 6/20 0.48
CDK2 P24941 6/20 0.45
CDK1 P06493 3/20 0.45
PARP2 Q9UGN5 2/20 0.43
CCNA2 P20248 3/20 0.40
CCNA1 P78396 2/20 0.40
SIRT2 Q8IXJ6 1/20 0.39
MAP4K4 O95819 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
CCNB2 O95067 1/20 0.37
CCNB1 P14635 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37

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
SCHEMBL28685100 0.81 PDGFRB (0.44) PARP10PARP15MAP4K4
SCHEMBL28707329 0.79 PDGFRB (0.43) PARP10MAP4K4
SCHEMBL30253716 0.76 PARP10 (0.42) PARP10MAP4K4
SCHEMBL28685072 0.76 PARP10 (0.42) PARP10MAP4K4
SCHEMBL30253497 0.76 SIRT6 (0.33)
SCHEMBL28698965 0.76 SIRT6 (0.33)
SCHEMBL28691237 0.75 IKBKB (0.39)
SCHEMBL28685074 0.75 MAPT (0.39) PARP10
SCHEMBL30253592 0.75 IKBKB (0.39)
SCHEMBL28644566 0.73 SIRT6 (0.36) ADORA3

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