SCHEMBL29201293

SCHEMBL29201293

Nc1nc(-c2ccc[nH]2)c(-c2ccc3ncc(Cl)n3c2)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.39
▸ ADORA1 P30542 13/20 0.39
▸ TGFBR1 P36897 4/20 0.35
▸ TGFBR2 P37173 1/20 0.35
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ EPHB3 P54753 1/20 0.33
▸ NT5E P21589 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
SCHEMBL28459169 0.89 ADORA2A (0.50) ADORA2AADORA1TGFBR1TGFBR2NT5E
SCHEMBL21722391 0.78 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL28470700 0.77 ADORA2A (0.48) ADORA2AADORA1
SCHEMBL22551865 0.75 ADORA2A (0.55) ADORA2AADORA1TGFBR1TGFBR2
SCHEMBL30880773 0.75 ADORA2A (0.55) ADORA2AADORA1TGFBR1TGFBR2
SCHEMBL28470912 0.74 TDP1 (0.38) ADORA2A
SCHEMBL29201299 0.71 ADORA2A (0.72) ADORA2AADORA1
SCHEMBL22551856 0.71 ADORA2A (0.63) ADORA2AADORA1TGFBR1TGFBR2
SCHEMBL29907719 0.71 ADORA2A (0.63) ADORA2AADORA1TGFBR1TGFBR2
SCHEMBL21722562 0.70 ADORA2A (0.53) ADORA2AADORA1TGFBR1TGFBR2

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
Send feedback