SCHEMBL2045175

SCHEMBL2045175

c1nc2c([nH]1)CCCN2

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 SCHEMBL3933886 0.98 UHRF1 (0.35) —
SCHEMBL25251015 0.94 FKBP5 (0.33) —
SCHEMBL9211592 0.72 NPSR1 (0.41) —
SCHEMBL2044638 0.72 — —
SCHEMBL2115153 0.70 — —
SCHEMBL234731 0.65 — —
SCHEMBL6518450 0.65 — —
SCHEMBL9923701 0.65 — —
SCHEMBL30538678 0.65 UHRF1 (0.37) —
SCHEMBL1747901 0.65 UHRF1 (0.37) —

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-117417328-A Triazine compound for reversing anticoagulant activity of low-molecular heparin, and preparation method and application thereof 中国药科大学 2024-01-19 — — CN claimed
EP-2336315-B1 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION AS (DK) 2017-07-19 — — EP claimed
EP-2336315-A2 Enzymatic encoding methods for efficient synthesis of large libraries Nuevolution A/S (DK) 2011-06-22 — — EP claimed
WO-2025064788-A2 CCR5 CONJUGATES AND USES THEREOF CIDARA THERAPEUTICS, INC. (US) 2025-03-27 — — WO disclosed
CN-117417328-A Triazine compound for reversing anticoagulant activity of low-molecular heparin, and preparation method and application thereof 中国药科大学 2024-01-19 — — CN disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 — — US disclosed
EP-3837010-B1 5 TO 7 MEMBERED HETEROCYCLIC AMIDES AS JAK INHIBITORS THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-07-05 — — EP disclosed
EP-3837253-B1 PROCESS FOR PREPARING JAK INHIBITORS AND INTERMEDIATES THEREOF THERAVANCE BIOPHARMA R&D IP LLC (US) 2023-06-07 — — EP disclosed
US-11667637-B2 Fused imidazo-piperidine JAK inhibitors THERAVANCE BIOPHARMA R&D IP, LLC (US) 2023-06-06 — — US disclosed
US-20230139111-A1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-05-04 — — US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
US-20050131011-A1 Chemical compounds PFIZER, INC. 2005-06-16 — — US disclosed
US-20050107424-A1 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. 2005-05-19 — — US disclosed
WO-2005033107-A1 IMIDAZOPYRIDINE SUBSTITUTED TROPANE DERIVATIVES WITH CCR5 RECEPTOR ANTAGONIST ACTIVITY FOR THE TREATMENT OF HIV AND INFLAMMATION PFIZER LIMITED (GB) 2005-04-14 — — WO disclosed
US-6855724-B2 Tropane derivatives useful in therapy AGOURON PHARMACEUTICALS, INC. (US) 2005-02-15 — — US disclosed
EP-1492789-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS Pfizer Limited (GB) 2005-01-05 — — EP disclosed
US-20040014742-A1 Antiinflammatory agents; viricides PFIZER INC. 2004-01-22 — — US disclosed
WO-2003084954-A1 TROPANE DERIVATIVES AS CCR5 MODULATORS PFIZER LIMITED (GB) 2003-10-16 — — WO disclosed
EP-1173438-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2002-01-23 — — EP disclosed
WO-2000063208-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2000-10-26 — — WO disclosed
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