SCHEMBL30401192

SCHEMBL30401192

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(CCC(=O)O)n4)nn3)nc(N)n2)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.47
▸ ADORA2B P29275 13/20 0.47
▸ ADORA1 P30542 2/20 0.47
▸ CTSK P43235 1/20 0.40
▸ CYP19A1 P11511 1/20 0.39

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
SCHEMBL20416793 1.00 ADORA2A (0.47) ADORA2AADORA2BADORA1CTSKCYP19A1
SCHEMBL20436459 0.93 ADORA2A (0.49) ADORA2AADORA2BADORA1
SCHEMBL20416792 0.90 ADORA2A (0.47) ADORA2AADORA2BADORA1
SCHEMBL20416872 0.88 ADORA2A (0.49) ADORA2AADORA2BADORA1CYP19A1
SCHEMBL20416807 0.87 CTSS (0.51) ADORA2AADORA2BADORA1CTSKCYP19A1
SCHEMBL20401371 0.87 ADORA2A (0.46) ADORA2AADORA2BADORA1
SCHEMBL30402137 0.87 ADORA2A (0.51) ADORA2AADORA2BADORA1
SCHEMBL20400687 0.87 ADORA2A (0.51) ADORA2AADORA2BADORA1
SCHEMBL20436455 0.87 ADORA2A (0.50) ADORA2AADORA2BADORA1
SCHEMBL20416609 0.86 ADORA2A (0.54) 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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