SCHEMBL4048883

SCHEMBL4048883

Cc1ccnc(CBr)c1

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
SCHEMBL31628682 1.00 — —
SCHEMBL27800512 0.83 UHRF1 (0.46) —
SCHEMBL30932457 0.81 UHRF1 (0.54) —
SCHEMBL12596 0.79 — —
SCHEMBL31421768 0.79 — —
SCHEMBL510744 0.77 — —
SCHEMBL510182 0.77 — —
SCHEMBL22685043 0.77 — —
SCHEMBL12892594 0.77 — —
SCHEMBL1443623 0.77 — —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11999716-B2 WDR5 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2024-06-04 — — US disclosed
US-20230012362-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2023-01-12 — — US disclosed
EP-3016934-B1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARM INC (US) 2018-01-10 — — EP disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
US-9695154-B2 Heteroaryl inhibitors of sumo activating enzyme MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-07-04 — — US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 — — US disclosed
US-20160355504-A1 HETEROARYL INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-12-08 — — US disclosed
EP-3016934-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME Millennium Pharmaceuticals, Inc. (US) 2016-05-11 — — EP disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 — — WO disclosed
WO-2015002994-A2 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF SUMO ACTIVATING ENZYME MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-01-08 — — WO disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 — — US disclosed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 — — US disclosed
US-20050101551-A1 Compounds useful as A3 adenosine receptor agonists MUSCAGEN LIMITED (GB) 2005-05-12 — — US disclosed
WO-2005012323-A2 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS TRIGEN LIMITED (GB) 2005-02-10 — — WO disclosed
EP-1469864-A1 COMPOUNDS USEFUL AS A-3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2004-10-27 — — EP disclosed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 — — US disclosed
CN-1496262-A Triazolo [4, 5-d ] pyrimidine derivatives and their use as purinergic receptor antagonists О 2004-05-12 — — CN disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 — — EP disclosed
WO-2003061670-A1 COMPOUNDS USEFUL AS A3 ADENOSINE RECEPTOR AGONISTS MUSCAGEN LIMITED (GB) 2003-07-31 — — WO disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 — — WO disclosed
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