SCHEMBL30401928

SCHEMBL30401928

C[C@H](c1cccc(Cn2cc(-c3cc(-c4cccc(C#N)c4)nc(N)n3)nn2)n1)N1CCC(C(=O)O)CC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 16/20 0.42
▸ ADORA2B P29275 11/20 0.42
▸ ADORA1 P30542 3/20 0.42
▸ PDE4A P27815 2/20 0.39
▸ PDE4B Q07343 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ PDE4D Q08499 2/20 0.39
▸ KLKB1 P03952 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
SCHEMBL20401220 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL30402253 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20401215 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20416906 1.00 ADORA2A (0.42) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20421967 0.96 ADORA2A (0.41) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20416945 0.96 ADORA2A (0.41) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20421934 0.96 ADORA2A (0.41) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20416658 0.96 ADORA2A (0.41) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20416800 0.96 ADORA2A (0.41) ADORA2AADORA2BADORA1PDE4APDE4B
SCHEMBL20416955 0.96 ADORA2A (0.41) ADORA2AADORA2BADORA1PDE4APDE4B

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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