SCHEMBL7993944

SCHEMBL7993944

COc1cnc(C)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
SCHEMBL13005381 0.81 LTA4H (0.52)
SCHEMBL3825167 0.77 FTO (0.42)
SCHEMBL14037485 0.76 DYRK1A (0.53)
SCHEMBL3165824 0.74
SCHEMBL11747876 0.74
SCHEMBL23925047 0.74
SCHEMBL459802 0.74
SCHEMBL18551126 0.74
SCHEMBL4429463 0.74
SCHEMBL3823825 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
US-20230365529-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. 2023-11-16 US disclosed
EP-3730494-B1 HETEROCYCLIC COMPOUND AND HARMFUL ARTHROPOD CONTROLLING AGENT CONTAINING SAME SUMITOMO CHEMICAL CO (JP) 2023-11-08 EP disclosed
US-20230339884-A1 Triazole N-Linked Carbamoyl Cyclohexyl Acids as LPA Antagonists BRISTOL MYERS SQUIBB CO (US) 2023-10-26 US disclosed
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-10 US disclosed
US-11779018-B2 Heterocyclic compound and arthropod pest control composition containing same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-10-10 US disclosed
WO-2023183520-A1 COMPOSITIONS AND METHODS FOR TREATING CANCER A2A PHARMACEUTICALS, INC. (US) 2023-09-28 WO disclosed
US-11690378-B2 Substituted pyridines as noxious arthropod control agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
US-11690378-B2 Substituted pyridines as noxious arthropod control agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2023-07-04 US disclosed
WO-2023116824-A1 PYRIDAZINONE COMPOUND AND PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND APPLICATION THEREOF 中国药科大学 2023-06-29 WO disclosed
US-20110201609-A1 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER & RESEARCH INSTITUTE (US) 2011-08-18 US disclosed
WO-2010077624-A1 BIARYL CARBOXAMIDES MERCK SHARP & DOHME CORP. (US) 2010-07-08 WO disclosed
CN-101677569-A 2-cyanophenyl fused heterocyclic compounds, and compositions and uses thereof RENOVIS INC 2010-03-24 CN disclosed
WO-2010005534-A2 PROTEASOME INHIBITORS FOR SELECTIVELY INDUCING APOPTOSIS IN CANCER CELLS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2010-01-14 WO disclosed
US-7485604-B2 Lubricant composition and method for using and preparing thereof FUJIFILM CORPORATION (JP) 2009-02-03 US disclosed
US-7271158-B2 Treatment of rumen acidosis with α-amylase inhibitors PFIZER INC. (US) 2007-09-18 US disclosed
WO-2006041831-A2 CYCLIC Β-AMINO ACID DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-04-20 WO disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
WO-2004037176-A2 QUINAZOLINONES AND DERIVATIVES THEREOF AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-06 WO disclosed