SCHEMBL30400781

SCHEMBL30400781

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(=O)O)c4)nn3)nc(N)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ UCHL5 Q9Y5K5 3/20 0.55
▸ UCHL1 P09936 1/20 0.55
▸ UCHL3 P15374 1/20 0.55
▸ ADORA2A P29274 8/20 0.52
▸ CDC7 O00311 2/20 0.48
▸ DAPK3 O43293 2/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ PAK4 O96013 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ FLT3 P36888 2/20 0.48
▸ CSNK1A1 P48729 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ CLK2 P49760 2/20 0.48
▸ CDK7 P50613 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ PRKX P51817 2/20 0.48
▸ CDK5 Q00535 2/20 0.48
▸ DYRK1A Q13627 2/20 0.48
▸ MELK Q14680 2/20 0.48
▸ HIPK2 Q9H2X6 2/20 0.48

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
SCHEMBL20400588 1.00 UCHL5 (0.55) UCHL5UCHL1UCHL3ADORA2ACDC7
SCHEMBL20436605 0.90 ADORA2A (0.48) UCHL5UCHL1UCHL3ADORA2ACDC7
SCHEMBL20400757 0.89 ADORA2A (0.52) UCHL5UCHL1UCHL3ADORA2ACDC7
SCHEMBL20436595 0.89 ADORA2A (0.62) ADORA2ACDC7DAPK3ROCK2PAK4
SCHEMBL20436604 0.87 ADORA2A (0.51) ADORA2AADORA2BCYP19A1KLKB1ADORA1
SCHEMBL20401627 0.87 ADORA2A (0.47) UCHL5UCHL1UCHL3ADORA2ACDC7
SCHEMBL20442118 0.87 ADORA2A (0.48) ADORA2ACDC7DAPK3ROCK2PAK4
SCHEMBL20400564 0.86 ADORA2A (0.49) UCHL5UCHL1UCHL3ADORA2ACDC7
SCHEMBL20416965 0.85 ADORA2A (0.50) UCHL5ADORA2AADORA2BCYP19A1ADORA1
SCHEMBL30401332 0.85 ADORA2A (0.50) UCHL5ADORA2AADORA2BCYP19A1ADORA1

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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