SCHEMBL29439817

SCHEMBL29439817

Nc1ncnc2c(Cl)cc(Cl)nc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.37
ADORA1 P30542 7/20 0.37
ADORA2B P29275 5/20 0.37
MAP4K4 O95819 4/20 0.36
ADORA3 P0DMS8 2/20 0.35
PDE5A O76074 1/20 0.35
PI4KA P42356 2/20 0.34
PI4K2B Q8TCG2 2/20 0.34
PI4K2A Q9BTU6 2/20 0.34
PI4KB Q9UBF8 2/20 0.34
HSP90AA1 P07900 3/20 0.34
CLK1 P49759 2/20 0.34
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
HSP90AB1 P08238 2/20 0.33
ERBB2 P04626 1/20 0.33
PIK3CD O00329 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
SCHEMBL22715627 1.00 ADORA2A (0.37) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL22715698 0.81 CDC7 (0.40) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL29439648 0.81 CDC7 (0.40) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL22715904 0.81 ADORA2A (0.39) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL29439732 0.81 ADORA2A (0.39) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL28936453 0.81 PIK3CG (0.40) ADORA2AADORA1ADORA2BMAP4K4PDE5A
SCHEMBL22715334 0.77 CDC7 (0.39) MAP4K4PDE5AHSP90AA1CLK1HSP90B1
SCHEMBL22715842 0.77 PDE5A (0.34) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL22716370 0.77 MAP4K4 (0.33) ADORA2AADORA1ADORA2BMAP4K4ADORA3
SCHEMBL22715967 0.77 MAP4K4 (0.35) ADORA2AADORA1ADORA2BMAP4K4ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
CN-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 CN disclosed
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed