SCHEMBL654054

SCHEMBL654054

O=c1[c]cccnn1

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
SCHEMBL656084 0.70
SCHEMBL4454655 0.58
SCHEMBL5908051 0.58
SCHEMBL692243 0.58
SCHEMBL751581 0.56 HDAC8 (0.33)
SCHEMBL19331457 0.56
SCHEMBL7345455 0.55 GOT1 (0.38)
SCHEMBL10864413 0.55 DBH (0.33)
SCHEMBL162504 0.54
SCHEMBL220564 0.53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7749999-B2 Alpha-ketoamides and derivatives thereof ITHERX PHARMACEUTICALS, INC. (US) 2010-07-06 US claimed
EP-1670787-A4 CYTOKINE INHIBITORS KEMIA INC (US) 2009-04-22 EP claimed
CN-1878769-A Cytokine inhibitors KEMIA INC (US) 2006-12-13 CN claimed
EP-1670787-A2 CYTOKINE INHIBITORS Kemia, INC. (US) 2006-06-21 EP claimed
US-20050107399-A1 Cytokine inhibitors KEMIA, INC. 2005-05-19 US claimed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO claimed
US-20230104311-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2023-04-06 US disclosed
EP-4106763-A1 NOVEL 6-SUBSTITUTED 7-DEAZAPURINES AND CORRESPONDING NUCLEOSIDES AS MEDICAMENTS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2022-12-28 EP disclosed
EP-2864312-B1 NOVEL ANTI-CANCER THIOPHENE COMPOUNDS UNIV LEUVEN KATH (BE) 2021-09-22 EP disclosed
US-11124617-B2 Materials coated with calixarenes UNIVERSITE LIBRE DE BRUXELLES (ULB) (BE) 2021-09-21 US disclosed
US-20210276988-A1 4,6-DI- AND 2,4,6-TRISUBSTITUTED QUINAZOLINE DERIVATIVES USEFUL FOR TREATING VIRAL INFECTIONS GILEAD SCIENCES, INC. 2021-09-09 US disclosed
EP-3362436-B1 PROCESS FOR THE CATALYTIC DIRECTED CLEAVAGE OF AMIDE-CONTAINING COMPOUNDS UNIV ANTWERPEN (BE) 2021-06-30 EP disclosed
US-10882851-B2 4,6-di- and 2,4,6-trisubstituted quinazoline derivatives useful for treating viral infections GILEAD SCIENCES, INC. (US) 2021-01-05 US disclosed
WO-2005023761-A2 CYTOKINE INHIBITORS KEMIA, INC. (US) 2005-03-17 WO disclosed
US-20050043541-A1 Metal complexes useful in metathesis and other reactions RIMTEC CORPORATION (JP) 2005-02-24 US disclosed
EP-1503761-A1 SUBSTITUTED PIPERAZINES AS MELANOCORTIN RECEPTOR LIGANDS Neurocrine Biosciences, Inc. (US) 2005-02-09 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP disclosed
US-20040053933-A1 Ligands of melanocortin receptors and compositions and methods related thereto NEUROCRINE BIOSCIENCES, INC. 2004-03-18 US disclosed
WO-2003094918-A1 SUBSTITUTED PIPERAZINE AS MELANOCORTIN RECEPTORS LIGANDS NEUROCRINE BIOSCIENCES, INC. (US) 2003-11-20 WO disclosed