SCHEMBL29907652

SCHEMBL29907652

Nc1nc(-c2ccc(F)cc2)c(Cl)nc1C(=O)NCc1c(F)cccc1F

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.66
▸ ADORA1 P30542 7/20 0.49
▸ ADORA2B P29275 2/20 0.49
▸ MET P08581 1/20 0.41
▸ EGLN1 Q9GZT9 1/20 0.39
▸ PLAU P00749 2/20 0.39
▸ ATM Q13315 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL22551964 1.00 ADORA2A (0.66) ADORA2AADORA1ADORA2BMETEGLN1
SCHEMBL28503949 0.82 ADORA2A (0.48) ADORA2AADORA1ADORA2BMETATM
SCHEMBL30880759 0.81 ADORA2A (0.48) ADORA2AADORA1ADORA2BEGLN1
SCHEMBL22552046 0.81 ADORA2A (0.48) ADORA2AADORA1ADORA2BEGLN1
SCHEMBL22552058 0.80 ADORA2A (0.66) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL21730362 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA2B
SCHEMBL29907792 0.80 ADORA2A (0.66) ADORA2AADORA1ADORA2BMEN1KMT2A
SCHEMBL29907689 0.80 ADORA2A (0.68) ADORA2AADORA1ADORA2B
SCHEMBL21730366 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL29906688 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 3 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
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