SCHEMBL29907692

SCHEMBL29907692

Cn1cc(-c2nc(C(=O)O)c(N)nc2-c2ncco2)ccc1=O

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.66
ADORA1 P30542 12/20 0.66
ADORA2B P29275 2/20 0.66

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
SCHEMBL21730185 1.00 ADORA2A (0.66) ADORA2AADORA1ADORA2B
SCHEMBL22551920 0.90 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL22551902 0.85 ADORA2A (0.53) ADORA2AADORA1ADORA2B
SCHEMBL4584998 0.83 ADORA2A (0.57) ADORA2AADORA1ADORA2B
SCHEMBL29907714 0.83 ADORA2A (0.51) ADORA2AADORA1ADORA2B
SCHEMBL4584433 0.82 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL22552054 0.81 ADORA2A (0.65) ADORA2AADORA1ADORA2B
SCHEMBL30175429 0.81 ADORA2A (0.65) ADORA2AADORA1ADORA2B
SCHEMBL30175489 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL22551811 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B

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
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