SCHEMBL4073344

SCHEMBL4073344

c1nc2n(n1)CCC2

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
SCHEMBL4072814 0.93
SCHEMBL22617573 0.91 ALDH1A1 (0.45)
SCHEMBL4070755 0.91 ALDH1A1 (0.45)
SCHEMBL16253526 0.81
SCHEMBL16253525 0.81
SCHEMBL16253555 0.74 PDPK1 (0.31)
SCHEMBL18501319 0.74 JAK3 (0.31)
SCHEMBL4066286 0.73
SCHEMBL4070710 0.73 CHRNB2 (0.31)
SCHEMBL16253566 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673892-B2 Bicyclic compounds for use as RIP1 kinase inhibitors GENENTECH, INC. (US) 2023-06-13 US claimed
EP-3694858-B1 BICYCLIC COMPOUNDS FOR USE AS RIP1 KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2023-01-11 EP claimed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US claimed
US-12338241-B2 Bicyclic sulfones and sulfoxides and methods of use thereof GENENTECH, INC. (US) 2025-06-24 US disclosed
EP-4397309-A2 BICYCLIC KETONE COMPOUNDS AND METHODS OF USE THEREOF F. Hoffmann-La Roche AG (CH) 2024-07-10 EP disclosed
CN-111278809-B Bicyclic sulfones and sulfoxides, and methods of use thereof 豪夫迈·罗氏有限公司 2024-06-25 CN disclosed
WO-2024006956-A9 DEUBIQUITINASE INHIBITORS AND METHODS OF USE THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024076929-A2 IRREVERSIBLE INACTIVATORS TARGETING ARAF/MEK COMPLEXES DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-04-11 WO disclosed
WO-2024011116-A2 POTENT AND SELECTIVE IRREVERSIBLE INHIBITORS OF IRAK1 DANA-FARBER CANCER INSTITUTE, INC. (US) 2024-01-11 WO disclosed
EP-3704097-B1 BICYCLIC SULFONES AND SULFOXIDES AND METHODS OF USE THEREOF HOFFMANN LA ROCHE (CH) 2023-10-25 EP disclosed
CN-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed
WO-2011137054-A1 NOVEL BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. (US) 2011-11-03 WO disclosed
US-20110028461-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2011-02-03 US disclosed
US-20110028481-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME CORP. 2011-02-03 US disclosed
WO-2010098487-A1 NITROGEN-CONTAINING FUSED HETEROCYCLIC COMPOUNDS AND THEIR USE AS BETA AMYLOID PRODUCTION INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-09-02 WO disclosed
US-20090325992-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF ONO PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
US-20090253705-A1 HYDROXYMETHYL PYRROLIDINES AS BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME LLC 2009-10-08 US disclosed
EP-2055705-A1 COMPOUND HAVING CYCLIC GROUP BOUND THERETO THROUGH SPIRO BINDING AND USE THEREOF Ono Pharmaceutical CO., LTD. (JP) 2009-05-06 EP disclosed
US-7312214-B2 1, 1-disubstituted cycloalkyl derivatives as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-12-25 US disclosed
US-20040254158-A1 Anticoagulants; atherosclerosis; strokes; thrombosis; cardiovascular disorders BRISTOL-MYERS SQUIBB COMPANY 2004-12-16 US disclosed