SCHEMBL42036

SCHEMBL42036

[c]1ccccc1-c1c[nH]nn1

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
SCHEMBL1132279 0.72
SCHEMBL29045051 0.72
SCHEMBL138565 0.71
SCHEMBL27480352 0.70
SCHEMBL1823304 0.70
SCHEMBL4704565 0.70
SCHEMBL2197897 0.70 ALDH1A1 (0.38)
SCHEMBL962127 0.69
SCHEMBL2649491 0.69
SCHEMBL1818070 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2780322-B1 METHODS AND COMPOSITIONS ASSOCIATED WITH THE GRANULOCYTE COLONY-STIMULATING FACTOR RECEPTOR LIGAND PHARM INC (US) 2018-05-16 EP claimed
EP-1891067-B1 ANDROGEN RECEPTOR MODULATOR COMPOUNDS AND METHODS LIGAND PHARM INC (US) 2016-01-13 EP claimed
EP-2260031-B1 COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME (US) 2015-10-07 EP claimed
CN-102015693-B Compounds as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2014-10-29 CN claimed
US-8404692-B2 Pyrimidin-4-yl-3, 4-dihydro-2H-pyrrolo [1,2A] pyrazin-1-one compounds CYCLACEL LIMITED (GB) 2013-03-26 US claimed
EP-2491038-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C]PYRROLES AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica N.V. (BE) 2012-08-29 EP claimed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US claimed
US-20110189192-A1 NOVEL COMPOUNDS THAT ARE ERK INHIBITORS MERCK SHARP & DOHME LLC 2011-08-04 US claimed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP claimed
WO-2011050198-A1 DISUBSTITUTED OCTAHY - DROPYRROLO [3,4-C] PYRROLES AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-04-28 WO claimed
EP-0770079-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-02 EP claimed
EP-0728145-A1 ENDOTHELIN RECEPTOR ANTAGONISTS Ciba-Geigy Japan Limited (JP) 1996-08-28 EP claimed
WO-1996001825-A1 HETEROBICYCLIC DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-01-25 WO claimed
WO-1995012611-A1 ENDOTHELIN RECEPTOR ANTAGONISTS JAPAT LTD. (CH) 1995-05-11 WO claimed
EP-0023026-B1 MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1984-02-22 EP claimed
EP-0023028-B1 MIXTURES OF OPTICAL BRIGHTENERS AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1982-12-15 EP claimed
US-4336155-A CYANOSTYRYL COMPOUNDS AND OTHER BRIGHTENER HOECHST AKTIENGESELLSCHAFT (DE) 1982-06-22 US claimed
US-4330427-A Mixtures of optical brighteners HOECHST AKTIENGESELLSCHAFT (DE) 1982-05-18 US claimed
EP-0023028-A1 Mixtures of optical brighteners and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP claimed
EP-0023026-A1 Mixtures of optical brighteners and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-01-28 EP claimed