SCHEMBL416458

SCHEMBL416458

Clc1nccc(Br)n1

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
SCHEMBL31008628 0.74
SCHEMBL190249 0.74
SCHEMBL29483856 0.72
SCHEMBL63023 0.72
SCHEMBL18171776 0.72 GABRA1 (0.41)
SCHEMBL383108 0.72
Fluoride SCHEMBL27460684 0.70
SCHEMBL61299 0.70
SCHEMBL3754047 0.69 MEN1 (0.56)
SCHEMBL558541 0.69 MAPK9 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929675-B Synthesis method of piperaquine Bai Xili 苏州特瑞药业股份有限公司 2025-02-11 CN claimed
CN-113929675-A Method for synthesizing piperazine cypress Xili 苏州特瑞药业有限公司 2022-01-14 CN claimed
US-9676731-B2 Preparation of pyrimidine intermediates useful for the manufacture of macitentan ACTELION PHARMACEUTICALS LTD. (CH) 2017-06-13 US claimed
US-20160318879-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-11-03 US claimed
US-20160052891-A1 PREPARATION OF PYRIMIDINE INTERMEDIATES USEFUL FOR THE MANUFACTURE OF MACITENTAN ACTELION PHARMACEUTICALS LTD. (CH) 2016-02-25 US claimed
EP-4727922-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
EP-4727921-A1 DUAL RAF AND TUBULIN INHIBITORS AND METHODS OF USE THEREOF Deciphera Pharmaceuticals, LLC (US) 2026-04-22 EP disclosed
EP-4720057-A2 COMPOUNDS AND COMPOSITIONS AS CBP/P300 DEGRADERS AND USES THEREOF Oncopia Therapeutics, Inc. D/B/A SK Life Science Labs (US) 2026-04-08 EP disclosed
US-20260070927-A1 INDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE HOFFMANN-LA ROCHE INC. (US) 2026-03-12 US disclosed
EP-4143179-B1 AZETIDIN-3-YLMETHANOL DERIVATIVES AS CCR6 RECEPTOR MODULATORS FOR THE TREATMENT OF CANCER IDORSIA PHARMACEUTICALS LTD (CH) 2025-10-22 EP disclosed
US-20250304596-A1 PYRAZINE DERIVATIVES AND USES THEREOF FOGHORN THERAPEUTICS INC (US) 2025-10-02 US disclosed
EP-4619397-A1 SALT-INDUCIBLE KINASES (SIK) INHIBITORS AND METHODS OF USES THEREOF Insilico Medicine IP Limited (HK) 2025-09-24 EP disclosed
US-7319104-B2 hPPARs activators SMITHKLINE BEECHAM CORPORATION (US) 2008-01-15 US disclosed
US-20070161685-A1 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-07-12 US disclosed
EP-1794120-A2 PEPTIDASE INHIBITORS Royalty, Susan Marie (US) 2007-06-13 EP disclosed
WO-2007062314-A2 HETEROCYCLIC CETP INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2007-05-31 WO disclosed
WO-2006012395-A2 PEPTIDASE INHIBITORS ROYALTY SUSAN MARIE (US) 2006-02-02 WO disclosed
US-20050137212-A1 Hppars activators SMITHKLINE BEECHAM CORPORATION 2005-06-23 US disclosed
EP-1480957-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2004-12-01 EP disclosed
WO-2003074495-A1 HPPARS ACTIVATORS SMITHKLINE BEECHAM CORPORATION (US) 2003-09-12 WO disclosed