SCHEMBL30880775

SCHEMBL30880775

Nc1nc(-c2ccc(F)cc2)c(Cl)nc1CNC(=O)c1ncccc1OC(F)F

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.48
▸ ADORA1 P30542 10/20 0.48
▸ ADORA2B P29275 2/20 0.42
▸ HCRTR1 O43613 4/20 0.38
▸ KMT2A Q03164 1/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL22551908 1.00 ADORA2A (0.48) ADORA2AADORA1ADORA2BHCRTR1KMT2A
SCHEMBL29907746 0.89 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL22552016 0.89 ADORA2A (0.57) ADORA2AADORA1ADORA2BADORA3
SCHEMBL22551884 0.83 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL29906689 0.83 ADORA2A (0.67) ADORA2AADORA1ADORA2BADORA3
SCHEMBL21730306 0.81 KMT2A (0.51) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL30880783 0.81 KMT2A (0.51) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL22551795 0.80 ADORA2A (0.59) ADORA2AADORA1ADORA2BKMT2A
SCHEMBL22551946 0.77 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3
SCHEMBL29906690 0.77 ADORA2A (0.62) ADORA2AADORA1ADORA2BADORA3

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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