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