SCHEMBL30401864

SCHEMBL30401864

N#Cc1cccc(-c2cc(-c3cn(Cc4ccccn4)nn3)nc(N)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 13/20 0.55
▸ ADORA1 P30542 2/20 0.55
▸ ADORA2B P29275 12/20 0.51
▸ GRM5 P41594 2/20 0.43
▸ CYP19A1 P11511 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
SCHEMBL20400722 1.00 ADORA2A (0.55) ADORA2AADORA1ADORA2BGRM5CYP19A1
SCHEMBL20400687 0.86 ADORA2A (0.51) ADORA2AADORA1ADORA2B
SCHEMBL30402137 0.86 ADORA2A (0.51) ADORA2AADORA1ADORA2B
SCHEMBL20400704 0.86 ADORA2A (0.54) ADORA2AADORA1ADORA2B
SCHEMBL20416666 0.86 ADORA2A (0.54) ADORA2AADORA1ADORA2B
SCHEMBL30399745 0.86 ADORA2A (0.54) ADORA2AADORA1ADORA2B
SCHEMBL20436595 0.86 ADORA2A (0.62) ADORA2AADORA1ADORA2BCYP19A1
SCHEMBL20436717 0.86 ADORA2A (0.51) ADORA2AADORA1ADORA2B
SCHEMBL20416807 0.85 CTSS (0.51) ADORA2AADORA1ADORA2BCYP19A1
SCHEMBL20401627 0.85 ADORA2A (0.47) 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
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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