SCHEMBL21722550

SCHEMBL21722550

Cc1cnc2ccc(-c3nc(C(=O)NCC4CC(C)(C)CN4C(=O)O)c(N)nc3-c3ncco3)cn12

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.72
▸ ADORA1 P30542 16/20 0.72
▸ ADORA2B P29275 2/20 0.46

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
SCHEMBL22552034 0.93 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL22552139 0.93 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL21722869 0.93 ADORA2A (0.71) ADORA2AADORA1ADORA2B
SCHEMBL21730375 0.92 ADORA2A (0.77) ADORA2AADORA1ADORA2B
SCHEMBL21722490 0.92 ADORA2A (0.77) ADORA2AADORA1ADORA2B
SCHEMBL22551839 0.91 ADORA2A (0.67) ADORA2AADORA1ADORA2B
SCHEMBL22551854 0.88 ADORA2A (0.85) ADORA2AADORA1ADORA2B
SCHEMBL22552006 0.88 ADORA2A (0.85) ADORA2AADORA1ADORA2B
SCHEMBL21722395 0.88 ADORA2A (0.85) ADORA2AADORA1ADORA2B
SCHEMBL22551786 0.86 ADORA2A (0.76) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837250-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD (CN) 2021-06-23 — — EP disclosed
WO-2020035052-A1 PYRAZINE COMPOUNDS AND USES THEREOF DIZAL (JIANGSU) PHARMACEUTICAL CO., LTD. (CN) 2020-02-20 — — WO disclosed
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