SCHEMBL30401320

SCHEMBL30401320

COCC(=O)Nc1nc(-c2cccc(C#N)c2)cc(-c2cn(Cc3cccc(COC)n3)nn2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 3/20 0.41
▸ DAPK3 O43293 2/20 0.39
▸ ROCK2 O75116 2/20 0.39
▸ PAK4 O96013 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ FLT3 P36888 2/20 0.39
▸ CSNK1A1 P48729 2/20 0.39
▸ CDK8 P49336 2/20 0.39
▸ CLK2 P49760 2/20 0.39
▸ CDK7 P50613 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ PRKX P51817 2/20 0.39
▸ CDK5 Q00535 2/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ MELK Q14680 2/20 0.39
▸ HIPK2 Q9H2X6 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ STK17A Q9UEE5 2/20 0.39
▸ MAP4K5 Q9Y4K4 2/20 0.39
▸ GSK3B P49841 1/20 0.39

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
SCHEMBL20401421 1.00 CDC7 (0.41) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL30401253 0.94 ADORA2A (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20416768 0.94 ADORA2A (0.39) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL30400836 0.94 CDC7 (0.40) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20401338 0.94 CDC7 (0.40) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20436672 0.94 CDC7 (0.41) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20416802 0.93 CDC7 (0.37) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL30400427 0.92 ADORA2A (0.41) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20400314 0.92 ADORA2A (0.41) CDC7DAPK3ROCK2PAK4CDK2
SCHEMBL20421916 0.91 CDC7 (0.37) CDC7DAPK3ROCK2PAK4CDK2

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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