SCHEMBL1997985

SCHEMBL1997985

N#Cc1ccnc2cccnc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.41
ALDH1A1 P00352 4/20 0.40
AAK1 Q2M2I8 1/20 0.39
KCNMA1 Q12791 2/20 0.39
KDM4E B2RXH2 5/20 0.38
MAPT P10636 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
USP2 O75604 2/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 3/20 0.37
SLC40A1 Q9NP59 1/20 0.37
ELANE P08246 1/20 0.37
HIF1A Q16665 2/20 0.37
GMNN O75496 1/20 0.37
TP53 P04637 1/20 0.37
HSP90AA1 P07900 1/20 0.37
MMP2 P08253 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37

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
SCHEMBL1126888 0.86 MAPT (0.48) LRRK2ALDH1A1KDM4EMAPTMEN1
SCHEMBL29722397 0.86 MAPT (0.48) LRRK2ALDH1A1KDM4EMAPTMEN1
Hydrochloric Acid SCHEMBL29722349 0.84 MAPT (0.47) LRRK2ALDH1A1KDM4EMAPTMEN1
SCHEMBL2010937 0.80 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTMEN1KMT2A
Quinoline SCHEMBL28119206 0.77 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL1997158 0.77 LMNA (0.51) LRRK2ALDH1A1KDM4EMAPTMEN1
Quinoline SCHEMBL28203421 0.75 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL30818296 0.74 KCNMA1 (0.41) LRRK2ALDH1A1KCNMA1KDM4EMAPT
SCHEMBL6646968 0.74 KDM4E (0.39) LRRK2ALDH1A1KCNMA1KDM4EPOLB
SCHEMBL16541494 0.74 NPC1 (0.41) LRRK2AAK1KCNMA1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107205993-B Organic compounds 细胞内治疗公司 2021-03-09 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
CN-107205993-A Organic compound 细胞内治疗公司 2017-09-26 CN 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
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-9085646-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2015-07-21 US claimed
US-20130066016-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2013-03-14 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
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-2026102105-A1 FUNCTIONAL POLYBUTADIENE AND CARBON BLACK IN RUBBER COMPOUNDS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2026-05-15 WO disclosed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO disclosed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US disclosed