SCHEMBL29439808

SCHEMBL29439808

Nc1ncnc2c(C(F)(F)F)cc(Cl)nc12

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDC7 O00311 1/20 0.39
▸ DBF4 Q9UBU7 1/20 0.39
▸ MAP4K4 O95819 4/20 0.36
▸ CA2 P00918 1/20 0.34
▸ CHKA P35790 1/20 0.34
▸ HSP90B1 P14625 6/20 0.34
▸ PIK3CD O00329 1/20 0.33
▸ AR P10275 1/20 0.32
▸ CLK1 P49759 1/20 0.32
▸ CYP11B1 P15538 1/20 0.31
▸ CYP11B2 P19099 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ HSP90AA1 P07900 2/20 0.31
▸ TRAP1 Q12931 1/20 0.31
▸ HSP90AB1 P08238 1/20 0.31

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
SCHEMBL22715334 1.00 CDC7 (0.39) CDC7DBF4MAP4K4CA2CHKA
SCHEMBL29439817 0.77 ADORA2A (0.37) MAP4K4HSP90B1PIK3CDCLK1PDE5A
SCHEMBL22715627 0.77 ADORA2A (0.37) MAP4K4HSP90B1PIK3CDCLK1PDE5A
SCHEMBL22715698 0.74 CDC7 (0.40) CDC7DBF4MAP4K4HSP90B1PDE5A
SCHEMBL29439648 0.74 CDC7 (0.40) CDC7DBF4MAP4K4HSP90B1PDE5A
SCHEMBL28936453 0.74 PIK3CG (0.40) MAP4K4HSP90B1PDE5AHSP90AA1TRAP1
SCHEMBL22715904 0.74 ADORA2A (0.39) MAP4K4HSP90B1CLK1PDE5AHSP90AA1
SCHEMBL29439732 0.74 ADORA2A (0.39) MAP4K4HSP90B1CLK1PDE5AHSP90AA1
SCHEMBL22716370 0.73 MAP4K4 (0.33) MAP4K4HSP90B1PDE5AHSP90AA1TRAP1
SCHEMBL30762108 0.73 PDE5A (0.41) CDC7DBF4MAP4K4CA2CHKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 — — EP disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 — — CN disclosed
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