SCHEMBL297731

SCHEMBL297731

[c]1ccnn2cncc12

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
SCHEMBL335173 0.65
SCHEMBL9730 0.62
SCHEMBL312879 0.62
SCHEMBL2187023 0.61
SCHEMBL12920475 0.59
SCHEMBL3396471 0.59
SCHEMBL7266780 0.58
SCHEMBL130058 0.58
SCHEMBL20299311 0.55 SMPD3 (0.37)
SCHEMBL4840455 0.55 IDO1 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230102554-A1 HETEROCYCLIC KINASE INHIBITORS AND PRODUCTS AND USES THEREOF GB002, INC. 2023-03-30 US claimed
US-20230099293-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2023-03-30 US claimed
US-20220287748-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY REBORNA BIOSCIENCES, INC. (JP) 2022-09-15 US claimed
US-20210196717-A1 TOLL-LIKE RECEPTOR 4 (TLR4) INHIBITORS AND USE THEREOF BAR-ILAN UNIVERSITY (IL) 2021-07-01 US claimed
EP-3816160-A1 PROPHYLACTIC OR THERAPEUTIC AGENT FOR SPINAL MUSCULAR ATROPHY Reborna Biosciences, Inc. (JP) 2021-05-05 EP claimed
WO-1996016656-A1 CONDENSED IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-06 WO claimed
US-12043632-B2 6-heteroaryloxy benzimidazoles and azabenzimidazoles as JAK2 inhibitors AJAX THERAPEUTICS, INC. (US) 2024-07-23 US disclosed
US-12012410-B2 Substituted pyrazolo[1,5-a]pyrazines for spinal muscular atrophy REBORNA BIOSCIENCES, INC. (JP) 2024-06-18 US disclosed
US-11925643-B2 Toll-like receptor 4 (TLR4) inhibitors and use thereof MOR RESEARCH APPLICATIONS LTD. (IL) 2024-03-12 US disclosed
EP-4267574-A1 6-HETEROARYLOXY BENZIMIDAZOLES AND AZABENZIMIDAZOLES AS JAK2 INHIBITORS AJAX THERAPEUTICS, INC. (US) 2023-11-01 EP disclosed
WO-2023118507-A2 COMPOUNDS AND USE THEREOF AS HDAC6 INHIBITORS AUGUSTINE THERAPEUTICS (BE) 2023-06-29 WO disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20230144197-A1 4-[[(7-AMINOPYRAZOLO[1,5-A]PYRIMIDIN-5-YL)AMINO]METHYL]PIPERIDIN-3-OL COMPOUNDS AND THEIR THERAPEUTIC USE Carrick Therapeutics Limited (IE) 2023-05-11 US disclosed
US-20080139639-A1 3-amino(alkyl)-substituted pyrrole compounds such as N-methyl-1-[1-(phenylsulfonyl)-5-(3-thienyl)-1H-pyrrol-3-yl]methanamine; peptic ulcer, Zollinger-Ellison syndrome, gastritis, gastroesophageal reflux disease, gastric cancer, ulcer caused by non-steroidal anti-inflammatory agent (NSAID) use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-06-12 US disclosed
US-20080076773-A1 Aminopiperidines as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-03-27 US disclosed
US-20080009510-A1 Fused Aminopiperidine as Dipeptidyl Peptidase-IV Inhibitors for the Treatment or Prevention of Diabetes MERCK SHARP & DOHME LLC 2008-01-10 US disclosed
EP-1803709-A1 PROTON PUMP INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2007-07-04 EP disclosed
US-20070060623-A1 antiulcer agents; proton pump inhibitors; side effect reduction; 1-[4-fluoro-5-phenyl-1-(pyridin-3-ylsulfonyl)-1H-pyrrol-3-yl]-N-methylmethanamine; superior acid secretion inhibitory effect; peptic ulcer, Zollinger-Ellison syndrome, reflux esophagitis, or symptomatic gastroesophageal reflux disease TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-03-15 US disclosed
EP-0632040-A1 Antibacterial imidazole derivatives Takeda Chemical Industries, Ltd. (JP) 1995-01-04 EP disclosed
US-4687853-A COLOR FORMERS BAYER AKTIENGESELLSCHAFT, A CORP OF GERMANY (DE) 1987-08-18 US disclosed