SCHEMBL45895

SCHEMBL45895

C1=c2ccccc2=CNC1

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
SCHEMBL3991516 0.64 CYP2A6 (0.31)
SCHEMBL462176 0.64 CYP2A6 (0.31)
SCHEMBL7600 0.64
SCHEMBL12430552 0.61 ALDH1A1 (0.35)
SCHEMBL18929048 0.59
SCHEMBL24465885 0.58 UHRF1 (0.32)
SCHEMBL23181732 0.58 CCR1 (0.32)
SCHEMBL23785125 0.57
SCHEMBL13750085 0.57
Biphenyl SCHEMBL6297474 0.56 ALDH1A1 (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 593 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108864088-A The preparation method of novel isoquinoline drug molecule with antibacterial activity 河南湾流生物科技有限公司 2018-11-23 CN claimed
CN-101311176-A Isoquinoline compounds, preparation method and use thereof SHANGHAI INST MATERIA MEDICA (CN) 2008-11-26 CN claimed
US-12611461-B2 Bioorthogonal compositions TAMBO, INC. (US) 2026-04-28 US disclosed
US-12600726-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2026-04-14 US disclosed
EP-4208564-B1 NUCLEIC ACID MODIFYING REAGENTS AND USES THEREOF PROMEGA CORP (US) 2026-04-08 EP disclosed
EP-4721762-A2 MODIFIED POLYAMINE POLYMERS FOR DELIVERY OF BIOMOLECULES INTO CELLS Promega Corporation (US) 2026-04-08 EP disclosed
US-12589162-B2 Trans-cyclooctene prodrug of monomethyl auristatin E TAMBO, INC. (US) 2026-03-31 US disclosed
EP-4713022-A1 TRANS-CYCLOOCTENE-MODIFIED TARGETED PROTEIN DEGRADER CONJUGATES Tambo, Inc. (US) 2026-03-25 EP disclosed
US-12577234-B2 Antagonists of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2026-03-17 US disclosed
EP-4704904-A1 TETRAZINE-BASED TARGETING AGENTS FOR IN VIVO DELIVERY OF A PAYLOAD Tambo, Inc. (US) 2026-03-11 EP disclosed
US-12570654-B2 Nanoluc suicide substrates PROMEGA CORPORATION (US) 2026-03-10 US disclosed
US-20090233900-A1 2-AMINOBENZAMIDE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2009-09-17 US disclosed
CN-101311176-A Isoquinoline compounds, preparation method and use thereof SHANGHAI INST MATERIA MEDICA (CN) 2008-11-26 CN disclosed
EP-1955697-A1 2-AMINOBENZAMIDE DERIVATIVE Astellas Pharma Inc. (JP) 2008-08-13 EP disclosed
US-7071332-B2 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. (US) 2006-07-04 US disclosed
US-20040147586-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2004-07-29 US disclosed
US-6706709-B2 TREATING, FOR EXAMPLE, PROLIFERATIVE DISORDERS INCLUDING CANCER SUGEN, INC. 2004-03-16 US disclosed
EP-1294688-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS Sugen, Inc. (US) 2003-03-26 EP disclosed
US-20020052369-A1 Indolinone derivatives as protein kinase/phosphatase inhibitors SUGEN, INC. 2002-05-02 US disclosed
WO-2001094312-A2 INDOLINONE DERIVATIVES AS PROTEIN KINASE/PHOSPHATASE INHIBITORS SUGEN, INC. (US) 2001-12-13 WO disclosed