SCHEMBL30401943

SCHEMBL30401943

COC[C@H](Nc1cc(-c2cn(Cc3cccc(N4CC[C@H](C(=O)O)C4)n3)nn2)cc(-c2cccc(C#N)c2)n1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 5/20 0.38
▸ PDE4A P27815 3/20 0.38
▸ PDE4B Q07343 3/20 0.38
▸ PDE4C Q08493 3/20 0.38
▸ NOTUM Q6P988 1/20 0.37
▸ CDC7 O00311 1/20 0.35
▸ DAPK3 O43293 1/20 0.35
▸ ROCK2 O75116 1/20 0.35
▸ PAK4 O96013 1/20 0.35
▸ CDK2 P24941 1/20 0.35
▸ FLT3 P36888 1/20 0.35
▸ CSNK1A1 P48729 1/20 0.35
▸ CDK8 P49336 1/20 0.35
▸ CLK2 P49760 1/20 0.35
▸ GSK3B P49841 1/20 0.35
▸ CDK7 P50613 1/20 0.35
▸ CDK9 P50750 1/20 0.35
▸ PRKX P51817 1/20 0.35
▸ CDK5 Q00535 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35

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
SCHEMBL30402206 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20400752 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20400746 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20421941 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20416762 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20421940 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20416732 1.00 PDE4D (0.38) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20416678 0.92 NOTUM (0.37) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20400935 0.92 NOTUM (0.37) PDE4DPDE4APDE4BPDE4CNOTUM
SCHEMBL20421973 0.92 NOTUM (0.37) PDE4DPDE4APDE4BPDE4CNOTUM

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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