SCHEMBL654171

SCHEMBL654171

CNC(=O)C(C)(C)Br

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
SCHEMBL11453782 0.78 ALDH1A1 (0.33)
SCHEMBL13663219 0.78
SCHEMBL13816830 0.75
SCHEMBL21687492 0.75 L3MBTL1 (0.31)
SCHEMBL179521 0.73
SCHEMBL15616264 0.73 L3MBTL1 (0.32)
SCHEMBL10187839 0.73 MEN1 (0.39)
SCHEMBL15150037 0.73
SCHEMBL16106180 0.73
SCHEMBL20622625 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 194 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4334310-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN Pharmaceutica NV (BE) 2024-03-13 EP disclosed
CN-117321049-A Substituted spirocyclic derivatives 詹森药业有限公司 2023-12-29 CN disclosed
EP-3601284-B1 NAPHTHYRIDINES AS INHIBITORS OF HPK1 HOFFMANN LA ROCHE (CH) 2023-12-27 EP disclosed
US-20230357193-A1 COMPOUND CAPABLE OF INHIBITING AND DEGRADING ANDROGEN RECEPTORS, AND PHARMACEUTICAL COMPOSITIONS AND PHARMACEUTICAL USES THEREOF XIZANG HAISCO PHARMACEUTICALS CO., LTD. (CN) 2023-11-09 US disclosed
EP-3659591-B1 MULTIFUNCTIONAL ZWITTERIONIC POLYMER CONJUGATES KODIAK SCIENCES INC (US) 2023-10-25 EP disclosed
US-11746178-B2 Polymer production method and radical polymerization initiating group-containing compound DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2023-09-05 US disclosed
US-11746178-B2 Polymer production method and radical polymerization initiating group-containing compound DAINICHISEIKA COLOR & CHEMICALS MFG. CO., LTD. (JP) 2023-09-05 US disclosed
CN-110678466-B Diazanaphthalenes as HPK1 inhibitors 豪夫迈·罗氏有限公司 2023-01-31 CN disclosed
WO-2022237626-A1 SUBSTITUTED SPIRO DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2022-11-17 WO disclosed
US-11267826-B2 Penicillin-binding protein inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-03-08 US disclosed
EP-1812445-A1 PHARMACEUTICAL COMPOUNDS Piramed Limited (GB) 2007-08-01 EP disclosed
US-7060827-B2 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents RIGEL PHARMACEUTICALS, INC. (US) 2006-06-13 US disclosed
WO-2006046031-A1 PHARMACEUTICAL COMPOUNDS PIRAMED LIMITED (GB) 2006-05-04 WO disclosed
EP-1471915-A4 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS INC (US) 2006-02-15 EP disclosed
US-20050209230-A1 2-leaving group-4-(substituted amino)-5-fluoropyrimidines such as 2-chloro-N4-(2-hydroxyphenyl)-5-fluoro-4-pyrimidineamine; chemical intermediates to compounds that inhibit the immunoglobulin (Ig) IgE and/or IgG receptor signaling cascades MIDCAP FINANCIAL TRUST 2005-09-22 US disclosed
US-20050038243-A1 Prevent immunoglobulin receptors signaling cascading; prevention diseases; drugs; antiinflammatory agents MIDCAP FINANCIAL TRUST 2005-02-17 US disclosed
EP-1471915-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES Rigel Pharmaceuticals, Inc. (US) 2004-11-03 EP disclosed
US-20040029902-A1 Antiinflamamtory agents MIDCAP FINANCIAL TRUST 2004-02-12 US disclosed
WO-2003063794-A2 2,4-PYRIMIDINEDIAMINE COMPOUNDS AND THEIR USES RIGEL PHARMACEUTICALS, INC. (US) 2003-08-07 WO disclosed
US-3956334-A CHOLESTEROL AND TRIGLYCERIDE LOWERING ACTIVITY IN BLOOD MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1976-05-11 US disclosed