SCHEMBL114139

SCHEMBL114139

C=Cc1ccc(F)nc1

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
SCHEMBL5789919 0.78 ALDH1A1 (0.48)
SCHEMBL29440483 0.78 ALDH1A1 (0.48)
SCHEMBL27783112 0.77 NFE2L2 (0.43)
SCHEMBL15516668 0.77 NFE2L2 (0.43)
SCHEMBL25403948 0.76
SCHEMBL114830 0.76
SCHEMBL9908261 0.76
SCHEMBL30454177 0.76
SCHEMBL3071412 0.76
SCHEMBL29574715 0.75 ALDH1A1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100105912-A1 FLUORO-CONTAINING DERIVATIVES OF HYDROGENATED PYRIDO[4,3-b]INDOLES WITH NEUROPROTECTIVE AND COGNITION ENHANCING PROPERTIES, PROCESS FOR PREPARING, AND USE D2E, LLC (US) 2010-04-29 US claimed
CN-115605474-A Microbicidal quinoline dihydro- (thiazine) oxazine derivatives 先正达农作物保护股份公司(CH) 2023-01-13 CN disclosed
CN-105693712-A TRPV1 antagonists including dihydroxy substituent and uses thereof 普渡制药公司 2016-06-22 CN disclosed
CN-102548984-B The inhibitor of PI3 kinases and/or MTOR AMGEN INC. (US) 2015-11-25 CN disclosed
CN-102724875-B Pyrido[3,4-b]indoles and methods of use MEDIVATION TECHNOLOGIES INC 2015-05-27 CN disclosed
EP-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-8772480-B2 Inhibitors of PI3 kinase and/or mTOR AMGEN INC. (US) 2014-07-08 US disclosed
US-20130079303-A1 Inhibitors of PI3 Kinase and/or mTOR AMGEN INC. (US) 2013-03-28 US disclosed
WO-2010126895-A1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC. (US) 2010-11-04 WO disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
US-20100273764-A1 INHIBITORS OF PI3 KINASE AND/OR MTOR AMGEN INC. (US) 2010-10-28 US disclosed
CN-101868234-A Fluorinated derivatives of hydrogenated pyrido [4,3-b ] indoles with neuroprotective and cognition enhancing properties, process for their preparation and their use D2E LLC 2010-10-20 CN disclosed
EP-2194980-A1 FLUORO-CONTAINING DERIVATIVES OF HYDROGENTED PYRIDOÝ4,3-B¨INDOLES WITH NEUROPROTECTIVE AND COGNITION ENHANCING PROPERTIES, PROCESS FOR PREPARING, AND USE D2e, Llc (US) 2010-06-16 EP disclosed
US-20100105912-A1 FLUORO-CONTAINING DERIVATIVES OF HYDROGENATED PYRIDO[4,3-b]INDOLES WITH NEUROPROTECTIVE AND COGNITION ENHANCING PROPERTIES, PROCESS FOR PREPARING, AND USE D2E, LLC (US) 2010-04-29 US disclosed
US-20100056790-A1 FLUORO-CONTAINING DERIVATIVES OF HYDROGENATED PYRIDO[4,3-B]INDOLES WITH NEUROPROTECTIVE AND COGNITION ENHANCING PROPERTIES, PROCESS FOR PREPARING, AND USE D2E, LLC (US) 2010-03-04 US disclosed
US-20090221627-A1 Fluoro-containing derivatives of hydrogenated pyrido[4,3-b]indoles with neuroprotective and cognition enhancing properties, process for preparing, and use D2E, LLC 2009-09-03 US disclosed
WO-2009038764-A1 FLUORO-CONTAINING DERIVATIVES OF HYDROGENTED PYRIDO[4,3-B]INDOLES WITH NEUROPROTECTIVE AND COGNITION ENHANCING PROPERTIES, PROCESS FOR PREPARING, AND USE D2E, LLC (US) 2009-03-26 WO disclosed