SCHEMBL29201285

SCHEMBL29201285

COC(=O)c1nc(-c2ccc(=O)n(C)c2)c(-c2ccc[nH]2)nc1N

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.48
▸ ADORA1 P30542 7/20 0.43
▸ ADORA2B P29275 3/20 0.43
▸ BRD4 O60885 2/20 0.35
▸ PDGFRB P09619 1/20 0.35
▸ EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL28470700 0.89 ADORA2A (0.48) ADORA2AADORA1ADORA2BBRD4
SCHEMBL22579112 0.78 ADORA2A (0.49) ADORA2AADORA1ADORA2B
SCHEMBL22551920 0.76 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL28804334 0.75 SMN1; SMN2 (0.38) —
SCHEMBL4584433 0.74 ADORA2A (0.56) ADORA2AADORA1ADORA2B
SCHEMBL4583598 0.73 ADORA2A (0.55) ADORA2AADORA1ADORA2B
SCHEMBL4585332 0.72 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL29987316 0.70 ADORA2A (0.65) ADORA2AADORA1ADORA2BBRD4
SCHEMBL4585883 0.70 ADORA2A (0.65) ADORA2AADORA1ADORA2BBRD4
SCHEMBL4585557 0.70 ADORA2A (0.65) ADORA2AADORA1ADORA2BBRD4

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 1 patent. 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
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