SCHEMBL30720460

SCHEMBL30720460

COC(=O)c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 17/20 0.48
▸ ADORA2B P29275 13/20 0.48
▸ ADORA1 P30542 3/20 0.48
▸ KLKB1 P03952 1/20 0.43

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
SCHEMBL20416578 1.00 ADORA2A (0.48) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20400520 0.92 ADORA2A (0.49) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20436455 0.91 ADORA2A (0.50) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20416872 0.90 ADORA2A (0.49) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20416792 0.87 ADORA2A (0.47) ADORA2AADORA2BADORA1KLKB1
SCHEMBL20400598 0.86 ADORA2A (0.52) ADORA2AADORA2BADORA1
SCHEMBL20400874 0.86 ADORA2A (0.52) ADORA2AADORA2BADORA1
SCHEMBL30402211 0.85 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400534 0.85 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20400518 0.85 ADORA2A (0.60) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4310082-A2 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS Arcus Biosciences, Inc. (US) 2024-01-24 — — EP disclosed
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