SCHEMBL30401171

SCHEMBL30401171

C[C@H](c1cccc(Cn2cc(-c3cc(N)nc(-c4cccc(C#N)c4)c3)nn2)n1)N1CCC(C(=O)O)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 3/20 0.40
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ KLKB1 P03952 1/20 0.39
▸ ROCK2 O75116 2/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ DYRK3 O43781 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ CSNK1G2 P78368 1/20 0.35
▸ PRKG1 Q13976 1/20 0.35
▸ SGK2 Q9HBY8 1/20 0.35
▸ CSNK1G1 Q9HCP0 1/20 0.35
▸ CSNK1G3 Q9Y6M4 1/20 0.35
▸ CDC7 O00311 1/20 0.34
▸ DAPK3 O43293 1/20 0.34
▸ PAK4 O96013 1/20 0.34

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
SCHEMBL20416801 1.00 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20401282 1.00 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20401285 1.00 PDE4D (0.40) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20417084 0.92 KLKB1 (0.39) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20416812 0.92 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20421974 0.92 PDE4D (0.39) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20416906 0.91 ADORA2A (0.42) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL30401928 0.91 ADORA2A (0.42) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20401220 0.91 ADORA2A (0.42) PDE4DPDE4APDE4BPDE4CKLKB1
SCHEMBL20401215 0.91 ADORA2A (0.42) PDE4DPDE4APDE4BPDE4CKLKB1

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 3 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
EP-3570844-B1 AZOLOPYRIMIDINE FOR THE TREATMENT OF CANCER-RELATED DISORDERS ARCUS BIOSCIENCES INC (US) 2023-09-06 — — EP 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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