Purine

Purine

SCHEMBL21998271

CC(N)C(=O)O.c1ncc2[nH]cnc2n1

nearest known ligand 0.37

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36
CPB2 Q96IY4 8/20 0.36
CPB1 P15086 5/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
SLC7A5 Q01650 1/20 0.36
NTRK1 P04629 1/20 0.35
KDM4E B2RXH2 2/20 0.33
TP53 P04637 1/20 0.33
TSHR P16473 1/20 0.32
GAA P10253 1/20 0.32

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
Purine SCHEMBL8066127 1.00 SMN1; SMN2 (0.37) SMN1; SMN2ALDH1A1RXFP1CPB2CPB1
Purine SCHEMBL5788025 0.90 SLC7A5 (0.42) SMN1; SMN2ALDH1A1RXFP1CPB2CPB1
Purine SCHEMBL28177652 0.89 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1RXFP1CPB2CPB1
Purine SCHEMBL28724547 0.84 SMN1; SMN2 (0.38) SMN1; SMN2ALDH1A1RXFP1CPB2CPB1
Purine SCHEMBL9934578 0.84 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1RXFP1CYP1A2NTRK1
Purine SCHEMBL29465224 0.84 ALDH1A1 (0.39) SMN1; SMN2ALDH1A1RXFP1CYP1A2CYP3A4
Purine SCHEMBL27414327 0.84 ALDH1A1 (0.43) ALDH1A1RXFP1NTRK1KDM4ETSHR
Purine SCHEMBL28153340 0.84 KDM4E (0.39) SMN1; SMN2ALDH1A1RXFP1CYP1A2NTRK1
Purine SCHEMBL28164598 0.83 ALDH1A1 (0.44) ALDH1A1RXFP1CYP1A2CYP3A4KDM4E
Aspartic Acid SCHEMBL28172600 0.83 CYP3A4 (0.41) SMN1; SMN2ALDH1A1RXFP1CPB2CPB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106083737-A A kind of miazines alanine derivatives that can be used for oncotherapy and its preparation method and application 河南师范大学 2016-11-09 CN claimed
CN-106083856-A A kind of purines alanine derivatives that can be used for oncotherapy and its preparation method and application 河南师范大学 2016-11-09 CN claimed
US-20220024999-A1 METHODS OF MODULATING RNA FLAGSHIP PIONEERING INNOVATIONS V INC (US) 2022-01-27 US disclosed
EP-3887516-A1 METHODS OF MODULATING RNA Flagship Pioneering Innovations V, Inc. (US) 2021-10-06 EP disclosed
CN-113454216-A Methods of modulating RNA 旗舰先锋创新V股份有限公司 2021-09-28 CN disclosed
WO-2020113135-A1 METHODS OF MODULATING RNA FLAGSHIP PIONEERING INNOVATIONS V, INC. (US) 2020-06-04 WO disclosed
CN-106074557-B D type guanine alanine is preparing the application in medicines resistant to liver cancer 河南师范大学 2019-07-05 CN disclosed
CN-107686505-A A kind of new tripeptide compound for containing 1 willardin and its preparation method and application 河南师范大学 2018-02-13 CN disclosed
CN-107365352-A A kind of new tripeptide compound for containing 9 adenine alanine and its preparation method and application 河南师范大学 2017-11-21 CN disclosed
CN-106083856-A A kind of purines alanine derivatives that can be used for oncotherapy and its preparation method and application 河南师范大学 2016-11-09 CN disclosed
CN-106083856-A A kind of purines alanine derivatives that can be used for oncotherapy and its preparation method and application 河南师范大学 2016-11-09 CN disclosed
CN-106083856-A A kind of purines alanine derivatives that can be used for oncotherapy and its preparation method and application 河南师范大学 2016-11-09 CN disclosed