SCHEMBL838113

SCHEMBL838113

[c]1ncnc2[nH]ncc12

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
SCHEMBL1344199 0.63 NOS1 (0.33)
Allopurinol SCHEMBL4708652 0.61 XDH (0.61)
Allopurinol SCHEMBL4627 0.61 XDH (0.61)
Allopurinol SCHEMBL29693720 0.61 XDH (0.61)
SCHEMBL29359980 0.61
SCHEMBL7772 0.61
Allopurinol SCHEMBL137084 0.60 XDH (0.59)
Allopurinol SCHEMBL21362860 0.60 XDH (0.59)
Allopurinol SCHEMBL6142912 0.60 XDH (0.59)
Allopurinol SCHEMBL2563568 0.60 XDH (0.59)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240174672-A1 Spirocycle Containing Pyridone Compounds PROTEGO BIOPHARMA, INC. 2024-05-30 US claimed
WO-2024092037-A1 SPIROCYCLE CONTAINING PYRIDONE COMPOUNDS PROTEGO BIOPHARMA, INC. (US) 2024-05-02 WO claimed
EP-4329755-A1 EXPANDED DOSAGE REGIMENS FOR INTEGRIN INHIBITORS Pliant Therapeutics, Inc. (US) 2024-03-06 EP claimed
EP-4328230-A2 AMINO ACID COMPOUNDS AND METHODS OF USE Pliant Therapeutics, Inc. (US) 2024-02-28 EP claimed
CN-117615760-A Extended dosage regimen for integrin inhibitors 普利安特治疗公司 2024-02-27 CN claimed
EP-3761980-B1 AMINO ACID COMPOUNDS AND METHODS OF USE PLIANT THERAPEUTICS INC (US) 2023-11-29 EP claimed
US-20230339970-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2023-10-26 US claimed
US-20230293519-A1 INTEGRIN INHIBITORS AND USES THEREOF IN COMBINATION WITH OTHER AGENTS PLIANT THERAPEUTICS INC (US) 2023-09-21 US claimed
EP-4214214-A1 CASEIN KINASE 1 DELTA MODULATORS JANSSEN Pharmaceutica NV (BE) 2023-07-26 EP claimed
US-20230181546-A1 TREATMENT OF RESPIRATORY DISEASES WITH AMINO ACID COMPOUNDS PLIANT THERAPEUTICS INC (US) 2023-06-15 US claimed
EP-1212299-B1 SUBSTITUTED PIPERIDINE COMPOUNDS USEFUL AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2009-04-08 EP claimed
US-20040102437-A1 Nitrogen-containing compounds having kinase inhibitory activity and drugs containing the same KYOWA HAKKO KIRIN CO., LTD. (JP) 2004-05-27 US claimed
EP-0915093-B1 AMIDE DERIVATIVES OTSUKA PHARMA CO LTD (JP) 2002-11-27 EP claimed
EP-1256574-A1 NITROGEN-CONTAINING COMPOUNDS HAVING KINASE INHIBITORY ACTIVITY AND DRUGS CONTAINING THE SAME KIRIN BEER KABUSHIKI KAISHA (JP) 2002-11-13 EP claimed
US-6166016-A Amide derivatives OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2000-12-26 US claimed
EP-0915093-A1 AMIDE DERIVATIVES OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 1999-05-12 EP claimed
EP-0154528-B1 ALKENE, ALKYNE OR CYCLOALKYLENE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-11 EP claimed
US-4873329-A ANTIANDROGENS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-10-10 US claimed
EP-0093252-B1 THIOMETHYLPYRIDINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM LUDWIG HEUMANN &amp; CO GMBH (DE) 1988-03-09 EP claimed
EP-0154528-A2 Alkene, alkyne or cycloalkylene derivatives IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1985-09-11 EP claimed