SCHEMBL24566409

SCHEMBL24566409

O=c1[nH][nH]c2ncc(Br)cc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 7/20 0.47
DYRK1B Q9Y463 5/20 0.47
AURKA O14965 4/20 0.47
JAK2 O60674 4/20 0.47
MAP4K4 O95819 4/20 0.47
FGFR1 P11362 4/20 0.47
FLT1 P17948 4/20 0.47
KDR P35968 4/20 0.47
CLK2 P49760 4/20 0.47
CDK5 Q00535 4/20 0.47
MAP4K2 Q12851 4/20 0.47
AURKB Q96GD4 4/20 0.47
CLK4 Q9HAZ1 4/20 0.47
PRKD3 O94806 3/20 0.47
TAOK1 Q7L7X3 3/20 0.47
DAPK3 O43293 3/20 0.47
PAK4 O96013 3/20 0.47
ABL1 P00519 3/20 0.47
RET P07949 3/20 0.47
PDGFRA P16234 3/20 0.47

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
SCHEMBL1253533 0.77 KDR (0.62) DYRK1ADYRK1BAURKAJAK2MAP4K4
SCHEMBL30826139 0.76 DAO (0.41) ALDH1A1
SCHEMBL15785416 0.76 PARP1 (0.37)
SCHEMBL29219201 0.76 DAO (0.41) ALDH1A1
SCHEMBL14820336 0.72 KDM4E (0.33) KDM4EALDH1A1MAPTHSD17B10
SCHEMBL10131569 0.71 DYRK1A (0.46) DYRK1ADYRK1BAURKAJAK2MAP4K4
SCHEMBL11379147 0.69 PDE3B (0.54) PDGFRANTRK1METPDGFRBGSK3A
SCHEMBL6530784 0.69 PARP1 (0.57) DYRK1ADYRK1BAURKAJAK2MAP4K4
SCHEMBL14805792 0.68 KDM4E (0.37) KDM4EHSD17B10KMT2A
SCHEMBL10131568 0.68 AURKA (0.47) DYRK1ADYRK1BAURKAJAK2MAP4K4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022140527-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2022-06-30 WO disclosed
CN-111393433-B Heterocyclic benzene sulfonamide compound and application thereof 暨南大学 2021-07-30 CN disclosed
CN-111393433-A Heterocyclic benzene sulfonamide compound and application thereof 暨南大学 2020-07-10 CN disclosed