SCHEMBL29439822

SCHEMBL29439822

O=[N+]([O-])c1n[nH]c2ccc(Cl)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.39
S1PR4 O95977 1/20 0.37
GRIN2D O15399 1/20 0.35
GRIN3B O60391 1/20 0.35
GRIN1 Q05586 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
GRIN3A Q8TCU5 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
MAPT P10636 4/20 0.35
NOS1 P29475 2/20 0.35
POLB P06746 2/20 0.35
MAOB P27338 1/20 0.35
HPGD P15428 1/20 0.34
MERTK Q12866 1/20 0.33
JAK2 O60674 1/20 0.33
TXNRD1 Q16881 3/20 0.33
GSR P00390 2/20 0.33
KMT2A Q03164 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
SCHEMBL18130786 1.00 GALR3 (0.39) GALR3S1PR4GRIN2DGRIN3BGRIN1
SCHEMBL31469447 0.75 TYRO3 (0.40) GALR3MAPT
SCHEMBL5145193 0.75 PDE10A (0.45) MAPTPOLBHPGDKMT2AGRM4
SCHEMBL31469646 0.73 GRIN2D (0.48) GALR3S1PR4GRIN2DGRIN3BGRIN1
SCHEMBL19994996 0.73 JAK2 (0.47) SIRT2MAPTJAK2KMT2AGRM4
SCHEMBL29498562 0.73 JAK2 (0.47) SIRT2MAPTJAK2KMT2AGRM4
SCHEMBL3616218 0.70 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30089367 0.70 MAPT (0.39) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30612183 0.70 MAPT (0.38) GALR3S1PR4MAPTNOS1JAK2
SCHEMBL26104190 0.70 MAPT (0.38) GALR3S1PR4MAPTNOS1JAK2

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 8 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
CN-109715629-B Aza-indazole compounds for use in tendon and/or ligament injuries 诺华股份有限公司 2022-04-12 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