SCHEMBL30401312

SCHEMBL30401312

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(N5CCC(C(=O)O)C5)n4)nn3)cc(N)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.44
▸ PDE4D Q08499 4/20 0.43
▸ PDE4A P27815 2/20 0.43
▸ PDE4B Q07343 2/20 0.43
▸ PDE4C Q08493 2/20 0.43
▸ KLKB1 P03952 1/20 0.37
▸ DGAT2 Q96PD7 1/20 0.37
▸ LRRK2 Q5S007 1/20 0.36
▸ CYP19A1 P11511 1/20 0.35
▸ ROCK2 O75116 2/20 0.35
▸ CLK2 P49760 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ CLK4 Q9HAZ1 2/20 0.35
▸ CDC7 O00311 1/20 0.35
▸ DAPK3 O43293 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

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
SCHEMBL20416863 1.00 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL20401302 0.95 PDE4D (0.47) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL30402083 0.90 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL30401203 0.90 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL20416789 0.90 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL20416790 0.90 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL20416785 0.90 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL30401568 0.90 NOTUM (0.44) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL20417123 0.86 DGAT2 (0.42) NOTUMPDE4DPDE4APDE4BPDE4C
SCHEMBL30401861 0.86 DGAT2 (0.42) NOTUMPDE4DPDE4APDE4BPDE4C

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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