SCHEMBL30401998

SCHEMBL30401998

N#Cc1cccc(-c2cc(-c3cn(Cc4cccc(C(F)(F)F)n4)nn3)nc(NCCC(=O)O)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 3/20 0.41
▸ ADORA1 P30542 2/20 0.41
▸ ADORA2B P29275 1/20 0.41
▸ CTSK P43235 2/20 0.38
▸ CDC7 O00311 2/20 0.37
▸ DAPK3 O43293 2/20 0.37
▸ ROCK2 O75116 2/20 0.37
▸ PAK4 O96013 2/20 0.37
▸ CDK2 P24941 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CSNK1A1 P48729 2/20 0.37
▸ CDK8 P49336 2/20 0.37
▸ CLK2 P49760 2/20 0.37
▸ CDK7 P50613 2/20 0.37
▸ CDK9 P50750 2/20 0.37
▸ PRKX P51817 2/20 0.37
▸ CDK5 Q00535 2/20 0.37
▸ DYRK1A Q13627 2/20 0.37
▸ MELK Q14680 2/20 0.37
▸ HIPK2 Q9H2X6 2/20 0.37

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
SCHEMBL20400775 1.00 ADORA2A (0.41) ADORA2AADORA1ADORA2BCTSKCDC7
SCHEMBL30401278 0.92 ADORA2A (0.45) ADORA2AADORA1ADORA2BCDC7DAPK3
SCHEMBL20416816 0.92 ADORA2A (0.45) ADORA2AADORA1ADORA2BCDC7DAPK3
SCHEMBL20416653 0.92 ADORA2A (0.42) ADORA2AADORA1ADORA2BCTSKCDC7
SCHEMBL30401879 0.92 ADORA2A (0.42) ADORA2AADORA1ADORA2BCTSKCDC7
SCHEMBL20436637 0.88 ADORA2B (0.40) ADORA2AADORA1ADORA2BCDC7DAPK3
SCHEMBL30401177 0.85 ADORA2A (0.42) ADORA2AADORA1ADORA2BCTSKCDC7
SCHEMBL20416821 0.85 ADORA2A (0.42) ADORA2AADORA1ADORA2BCTSKCDC7
SCHEMBL20417140 0.85 ADORA2A (0.42) ADORA2AADORA1ADORA2BCTSKCDC7
SCHEMBL30402249 0.85 ADORA2A (0.42) ADORA2AADORA1ADORA2BCTSKCDC7

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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