SCHEMBL30402056

SCHEMBL30402056

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC(CC(=O)O)CC5)n4)nn3)nc(N)n2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.42
▸ ADORA2B P29275 7/20 0.42
▸ ADORA1 P30542 2/20 0.42
▸ PDE4D Q08499 3/20 0.37
▸ PDE4A P27815 1/20 0.37
▸ PDE4B Q07343 1/20 0.37
▸ PDE4C Q08493 1/20 0.37
▸ FFAR4 Q5NUL3 2/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ DGAT1 O75907 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36

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
SCHEMBL20416900 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL30401961 0.91 PDE4D (0.46) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL20416775 0.91 PDE4D (0.46) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL30401568 0.88 NOTUM (0.44) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL20416789 0.88 NOTUM (0.44) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL30401203 0.88 NOTUM (0.44) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL20416785 0.88 NOTUM (0.44) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL20416790 0.88 NOTUM (0.44) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL30402083 0.88 NOTUM (0.44) ADORA2AADORA2BADORA1PDE4DPDE4A
SCHEMBL20416784 0.88 ADORA2A (0.43) 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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