SCHEMBL28900293

SCHEMBL28900293

Nc1nc(-c2ccc[nH]2)c(Cl)nc1C(=O)NCc1ncccc1F

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 14/20 0.51
▸ ADORA1 P30542 10/20 0.51
▸ SLC40A1 Q9NP59 5/20 0.42
▸ CNR2 P34972 1/20 0.41

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
SCHEMBL28503949 0.86 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL21722597 0.81 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL28470912 0.73 TDP1 (0.38) ADORA2A
SCHEMBL28804334 0.72 SMN1; SMN2 (0.38) —
SCHEMBL17768716 0.71 ADORA2A (0.69) ADORA2AADORA1
SCHEMBL22552016 0.71 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL29907746 0.71 ADORA2A (0.57) ADORA2AADORA1
SCHEMBL21722330 0.70 ADORA2A (0.63) ADORA2AADORA1
SCHEMBL22253900 0.70 ADORA2A (0.66) ADORA2AADORA1
SCHEMBL28466851 0.70 ADORA2A (0.48) ADORA2AADORA1

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 6 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
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
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