SCHEMBL28472196

SCHEMBL28472196

C[C@@H](Cn1nccn1)OC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL28472198 1.00 LMNA (0.47) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL28900318 0.75 SCN9A (0.31)
SCHEMBL29201284 0.73 CYP19A1 (0.48) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL21722399 0.73 CYP19A1 (0.48) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL28468849 0.73 CYP19A1 (0.48) LMNAMAPTCHRM2CHRM4CHRM5
SCHEMBL4308663 0.72 ADRB1 (0.36) LMNA
SCHEMBL4316364 0.71 ADRB1 (0.47)
SCHEMBL4307811 0.70 ADRB1 (0.44)
SCHEMBL13667412 0.68 CYP1A2 (0.38) LMNACYP2C9TSHR
SCHEMBL4310334 0.68 PTGS2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115181092-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2024-05-03 CN disclosed
CN-115181092-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-10-14 CN disclosed
CN-112279837-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2022-08-09 CN disclosed
CN-111747954-B Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-08-24 CN disclosed
CN-112279837-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2021-01-29 CN disclosed
CN-112055709-A Pyrazine compounds and uses thereof 迪哲(江苏)医药股份有限公司 2020-12-08 CN disclosed
CN-111747954-A Pyrazine compounds and uses thereof 迪哲(江苏)医药有限公司 2020-10-09 CN disclosed