SCHEMBL3712918

SCHEMBL3712918

NCc1cnc(Cl)nc1

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
Hydrochloric Acid SCHEMBL1585973 0.97 LOXL2 (0.41)
Hydrochloric Acid SCHEMBL1585972 0.95 LOXL2 (0.45)
SCHEMBL27356274 0.77 HRH3 (0.58)
SCHEMBL25939888 0.75 CYP2A6 (0.44)
SCHEMBL8193956 0.74
SCHEMBL13527766 0.74 LOXL2 (0.39)
SCHEMBL459457 0.74
SCHEMBL10060686 0.74
SCHEMBL487410 0.72
SCHEMBL457503 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108558774-A A kind of method of synthesizing halogen-aminomethyl substituted pyrimidines and its salt 南京药石科技股份有限公司 2018-09-21 CN claimed
JP-7224035-A None JP disclosed
US-20260138978-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 VANDERBILT UNIV (US) 2026-05-21 US disclosed
US-12544448-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2026-02-10 US disclosed
US-20250108117-A1 C40-, C28-, and C-32-Linked Rapamycin Analogs as mTOR Inhibitors WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2025-04-03 US disclosed
US-12187746-B2 C26-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2025-01-07 US disclosed
EP-3788050-B1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS REVOLUTION MEDICINES INC (US) 2024-08-28 EP disclosed
US-12048749-B2 C40-, C28-, and C-32-linked rapamycin analogs as mTOR inhibitors Revolution Medicines, Inc. (US) 2024-07-30 US disclosed
US-20240166667-A1 C26-LINKED RAPAMYCIN ANALOGS AS MTOR INHIBITORS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2024-05-23 US disclosed
EP-3466929-B1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS MILLENNIUM PHARM INC (US) 2023-09-06 EP disclosed
CN-103342696-A Substituted dihydropyrazolon for treating cardiovascular and haematological diseases BAYER HEALTHCARE AG 2013-10-09 CN disclosed
CN-101631785-B Substituted dihydropyrazolones for the treatment of cardiovascular and hematological disorders BAYER IP GMBH 2013-08-21 CN disclosed
US-8389520-B2 Substituted dihydropyrazolones for treating cardiovascular and hematological diseases BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-03-05 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20120208819-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS OXFORD FINANCE LLC, AS COLLATERAL AGENT 2012-08-16 US disclosed
US-20120121727-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-05-17 US disclosed
WO-2011044157-A1 HETEROCYCLIC COMPOUNDS USEFUL AS PDK1 INHIBITORS BIOGEN IDEC MA INC. (US) 2011-04-14 WO disclosed
US-20100305085-A1 SUBSTITUTED DIHYDROPYRAZOLONES FOR TREATING CARDIOVASCULAR AND HEMATOLOGICAL DISEASES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2010-12-02 US disclosed
CN-101631785-A Substituted dihydropyrazolones for the treatment of cardiovascular and hematological disorders BAYER SCHERING PHARMA AG 2010-01-20 CN disclosed
JP-H07224035-A METHOD FOR EXTRACTING AND SEPARATING 2-CHLORO-5-AMINOMETHYLPYRIMIDINE MITSUBISHI CHEM CORP 1995-08-22 JP disclosed