SCHEMBL29124575

SCHEMBL29124575

COCc1cccc(Cn2cc(-c3cc(-c4ccc(C#N)c(C)c4)nc(N)n3)nn2)n1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.53
▸ ADORA2B P29275 18/20 0.53
▸ ADORA1 P30542 1/20 0.53

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
SCHEMBL30400799 1.00 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL20401260 0.93 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL30401978 0.87 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20416655 0.87 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20400534 0.86 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL30402211 0.86 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400688 0.85 ADORA2A (0.73) ADORA2AADORA2BADORA1
SCHEMBL30401493 0.85 ADORA2A (0.62) ADORA2AADORA2BADORA1
SCHEMBL20401236 0.85 ADORA2A (0.62) ADORA2AADORA2BADORA1
SCHEMBL30401143 0.84 ADORA2A (0.46) ADORA2AADORA2BADORA1

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
CN-116768859-A Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-09-19 — — CN disclosed
CN-110214012-B Azolopyrimidines for the treatment of cancer related disorders 艾库斯生物科学有限公司 2023-05-09 — — CN disclosed
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