SCHEMBL4455591

SCHEMBL4455591

Nc1nc[nH]c(=O)c1N

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
Valine SCHEMBL9287113 0.78 SLC7A5 (0.46)
SCHEMBL30992850 0.76
SCHEMBL3170605 0.76
SCHEMBL20327577 0.73 ALDH1A1 (0.40)
SCHEMBL9193365 0.73 KDM4E (0.58)
SCHEMBL2942472 0.72 IP6K1 (0.41)
SCHEMBL18519983 0.72 KDM4E (0.41)
SCHEMBL24296725 0.72 ALDH1A1 (0.39)
SCHEMBL9723032 0.72 HPGD (0.47)
SCHEMBL17163986 0.72 PDPK1 (0.41)

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 73 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP claimed
US-5167949-A Antiallergic LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-12-01 US claimed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 EP claimed
US-12617789-B2 Small molecular inhibitors of NF-κb inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2026-05-05 US disclosed
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
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
EP-4467199-A2 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2024-11-27 EP 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
EP-3976597-B1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2024-08-28 EP 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-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO disclosed
EP-0399856-B1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA (FR) 1995-08-09 EP disclosed
EP-0587814-A1 SUBSTITUTED PYRIMIDINONES BEARING ACIDIC FUNCTIONAL GROUPS AS ANGIOTENSIN II ANTAGONISTS MERCK & CO. INC. (US) 1994-03-23 EP disclosed
US-5270465-A 4(3H)-pteridinone compounds LIPHA, LYONNAISE INDUSTRILLE PHARMACEUTIQUE (FR) 1993-12-14 US disclosed
US-5223501-A Hypotensive agents MERCK & CO., INC. (US) 1993-06-29 US disclosed
US-5202328-A Treatment of hypertension, congestive heart failure, glaucoma MERCK & CO., INC. (US) 1993-04-13 US disclosed
US-5167949-A Antiallergic LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1992-12-01 US disclosed
WO-1992020687-A1 SUBSTITUTED PYRIMIDINONES BEARING ACIDIC FUNCTIONAL GROUPS AS ANGIOTENSIN II ANTAGONISTS MERCK & CO., INC. (US) 1992-11-26 WO disclosed
EP-0399856-A1 Pteridin-4 (3H)-ones, processes for their preparation and medicaments containing them LIPHA, LYONNAISE INDUSTRIELLE PHARMACEUTIQUE (FR) 1990-11-28 EP disclosed