SCHEMBL109508

SCHEMBL109508

[c]1nc2c(s1)COCC2

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
SCHEMBL679159 0.69
SCHEMBL740899 0.62 PDK1 (0.61)
SCHEMBL743161 0.61 PDK1 (0.59)
SCHEMBL2667265 0.61 PDK1 (0.59)
SCHEMBL6731932 0.61 PDK1 (0.53)
SCHEMBL207439 0.60 GRM5 (0.41)
Hydrochloric Acid SCHEMBL3580520 0.60 PDK1 (0.58)
SCHEMBL1201817 0.60 PDK1 (0.46)
SCHEMBL10498 0.58
SCHEMBL951624 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US claimed
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US claimed
US-20180194760-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE JPMORGAN CHASE BANK, N.A. AS ADMINISTRATIVE AGENT 2018-07-12 US claimed
EP-3319968-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE Rodin Therapeutics, Inc. (US) 2018-05-16 EP claimed
WO-2017007755-A1 HETEROBICYCLIC N-AMINOPHENYL-AMIDES AS INHIBITORS OF HISTONE DEACETYLASE RODIN THERAPEUTICS, INC. (US) 2017-01-12 WO claimed
EP-3061752-A1 SUBSTITUTED PYRIDAZINE CARBOXAMIDE COMPOUNDS AS KINASE INHIBITOR COMPOUNDS Xcovery Holding Company LLC (US) 2016-08-31 EP claimed
EP-2424858-B1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INT (DE) 2014-05-14 EP claimed
EP-2431370-B1 Monoacylated 1,2-diaminocycloalkanes DAIICHI SANKYO CO LTD (JP) 2013-06-19 EP claimed
EP-1405852-B9 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2013-03-27 EP claimed
EP-1405852-B1 DIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-08-01 EP claimed
EP-1270557-B1 ETHYLENEDIAMINE DERIVATIVES DAIICHI SANKYO CO LTD (JP) 2012-07-25 EP claimed
EP-2431370-A1 Monoacylated 1,2-diaminocycloalkanes DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2012-03-21 EP claimed
EP-2424858-A1 CXCR3 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2012-03-07 EP claimed
US-8088796-B2 Triamine derivative DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-03 US claimed
WO-2010126851-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-11-04 WO claimed
US-20100273781-A1 CXCR3 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-28 US claimed
US-20240043435-A1 TYK-2 INHIBITOR BEONE MEDICINES I GMBH (CH) 2024-02-08 US disclosed
US-10421756-B2 Heterobicyclic N-aminophenyl-amides as inhibitors of histone deacetylase RODIN THERAPEUTICS, INC. (US) 2019-09-24 US disclosed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP disclosed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP disclosed