SCHEMBL20401194

SCHEMBL20401194

COCc1cccc(Cn2cc(-c3nc(N)nc(-c4c(I)cccc4C#N)c3C)nn2)n1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.46
▸ ADORA2B P29275 18/20 0.46
▸ ADORA1 P30542 1/20 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
SCHEMBL20401366 0.86 ADORA2A (0.53) ADORA2AADORA2BADORA1
SCHEMBL20400660 0.83 ADORA2A (0.46) ADORA2AADORA2BADORA1
SCHEMBL24915554 0.81 ADORA2A (0.54) ADORA2AADORA2BADORA1
SCHEMBL20416537 0.81 ADORA2B (0.44) ADORA2AADORA2BADORA1
SCHEMBL30400777 0.81 ADORA2B (0.44) ADORA2AADORA2BADORA1
SCHEMBL20400688 0.78 ADORA2A (0.73) ADORA2AADORA2BADORA1
SCHEMBL20401243 0.76 ADORA2A (0.39) ADORA2AADORA2BADORA1
SCHEMBL20401236 0.76 ADORA2A (0.62) ADORA2AADORA2BADORA1
SCHEMBL30401493 0.76 ADORA2A (0.62) ADORA2AADORA2BADORA1
SCHEMBL20401260 0.76 ADORA2A (0.53) 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
WO-2018136700-A1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES, INC. (US) 2018-07-26 — — WO disclosed
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