SCHEMBL29838035

SCHEMBL29838035

CCOc1ncc2cc(Br)c(=O)[nH]c2n1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 7/20 0.35
▸ DYRK1B Q9Y463 7/20 0.35
▸ MAT2A P31153 1/20 0.35
▸ HCAR2 Q8TDS4 1/20 0.35
▸ KDM4C Q9H3R0 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ESR2 Q92731 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ PDE3B Q13370 1/20 0.32
▸ PDE3A Q14432 1/20 0.32

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
SCHEMBL23632980 1.00 DYRK1A (0.35) DYRK1ADYRK1BMAT2AHCAR2KDM4C
SCHEMBL31532076 0.77 CDK4 (0.42) MAT2AHSD17B10
SCHEMBL29837979 0.77 ADORA2A (0.46) HCAR2KDM4CMAPTESR2HSD17B10
SCHEMBL23638393 0.77 ADORA2A (0.46) HCAR2KDM4CMAPTESR2HSD17B10
SCHEMBL29861753 0.76 PDK2 (0.39) DYRK1ADYRK1B
SCHEMBL15280148 0.74 CDC7 (0.38) DYRK1ADYRK1BHSD17B10
SCHEMBL31532055 0.74 SIK2 (0.45) DYRK1ADYRK1B
SCHEMBL22612785 0.74 SIK2 (0.45) DYRK1ADYRK1B
SCHEMBL29837916 0.74 HTR1A (0.44) MAT2AKDM4CMAPTPDE3BPDE3A
SCHEMBL661610 0.73 MEN1 (0.38) MAPT

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-114901664-B Pyridone compounds and uses thereof 南京再明医药有限公司 2024-07-02 — — CN disclosed
CN-114901664-A Pyridone compound and application thereof 江苏先声药业有限公司 2022-08-12 — — CN disclosed
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