SCHEMBL1996212

SCHEMBL1996212

N#Cc1ncc2ccccc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
KDM4E B2RXH2 3/20 0.43
GAA P10253 1/20 0.43
GPR3 P46089 1/20 0.42
EGFR P00533 1/20 0.42
CYP1A2 P05177 3/20 0.40
MAPT P10636 3/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR3A P46098 1/20 0.39
HRH4 Q9H3N8 1/20 0.39
PSMB8 P28062 1/20 0.37
RPS6KA5 O75582 1/20 0.37
CTSS P25774 2/20 0.37
CTSK P43235 2/20 0.37
CHEK1 O14757 1/20 0.37
NAAA Q02083 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL29947454 1.00 ALDH1A1 (0.43) ALDH1A1KDM4EGAAGPR3EGFR
SCHEMBL28088613 0.87 KDM4E (0.35) ALDH1A1KDM4EGAAGPR3EGFR
SCHEMBL14629293 0.82 CHEK1 (0.41) ALDH1A1KDM4EGAAGPR3CYP1A2
SCHEMBL14629285 0.82 ALDH1A1 (0.45) ALDH1A1KDM4EGAAGPR3CYP1A2
SCHEMBL223540 0.79 CYP1A2 (0.43) ALDH1A1KDM4EGPR3EGFRCYP1A2
SCHEMBL30824520 0.79 KDM4E (0.42) ALDH1A1KDM4EGPR3EGFRCYP1A2
SCHEMBL6005051 0.79 KDM4E (0.42) ALDH1A1KDM4EGPR3EGFRCYP1A2
SCHEMBL7548858 0.79 KDM4E (0.42) ALDH1A1KDM4EGPR3EGFRCYP1A2
SCHEMBL2773608 0.79 KDM4E (0.42) ALDH1A1KDM4EGPR3EGFRCYP1A2
SCHEMBL14629355 0.76 RPS6KA5 (0.48) ALDH1A1KDM4EMAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024112806-A1 GENERATION AND USE OF EPIGENETIC MAPS FOR DRUG DISCOVERY MOONWALK BIOSCIENCES, INC. (US) 2024-05-30 WO claimed
CN-115260199-A Benzimidazole pyrazine-3-carboxamide compound and preparation method and application thereof 中山大学 2022-11-01 CN claimed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US claimed
US-20180319905-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2018-11-08 US claimed
US-20170015760-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2017-01-19 US claimed
US-9469741-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2016-10-18 US claimed
CN-105143445-A Maturation of hepatocyte-like cells derived from human pluripotent stem cells TAKARA BIO EUROP AB 2015-12-09 CN claimed
EP-2203482-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORP (JP) 2015-11-25 EP claimed
CN-104945540-A Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORP 2015-09-30 CN claimed
US-20150267031-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2015-09-24 US claimed
US-8362156-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2013-01-29 US claimed
US-8314189-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2012-11-20 US claimed
US-20100280217-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2010-11-04 US claimed
CN-101874044-A Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORP 2010-10-27 CN claimed
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed
WO-2008048967-A1 TRIPODAL CYCLOHEXANE DERIVATIVES AND THEIR USE AS CARBOHYDRATE RECEPTORS UNIVERSITY OF ROCHESTER (US) 2008-04-24 WO claimed
WO-2004016596-A1 CONDENSED HETEROCYCLIC COMPOUNDS AS PDE-IV INHIBITORS FOR THE TREATMENT OF INFLAMMATORY AND ALLERGIC DISORDERS GLENMARK PHARMACEUTICALS LIMITED (US) 2004-02-26 WO claimed