SCHEMBL1996285

SCHEMBL1996285

N#Cc1ccnc(C#N)c1C#N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.34
ROCK2 O75116 4/20 0.33
ROCK1 Q13464 4/20 0.33
CDC42BPA Q5VT25 4/20 0.33
CDC42BPB Q9Y5S2 4/20 0.33
ALDH1A1 P00352 7/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HIF1A Q16665 1/20 0.32
GAA P10253 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
USP2 O75604 1/20 0.32
KDM4E B2RXH2 4/20 0.31

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
SCHEMBL30701246 1.00 LRRK2 (0.34) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL27176187 0.76 PRKACA (0.45) ALDH1A1MEN1KMT2ACYP1A2CYP2C9
SCHEMBL6060756 0.76 LRRK2 (0.33) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL15680079 0.76 ROCK2 (0.39) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL17570530 0.76 TSHR (0.37) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL21927522 0.76 LRRK2 (0.33) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL15691383 0.76 ALDH1A1 (0.39) LRRK2ALDH1A1MEN1KMT2ACYP1A2
SCHEMBL21927178 0.76 LRRK2 (0.33) LRRK2ROCK2ROCK1CDC42BPACDC42BPB
SCHEMBL8421629 0.73 ALDH1A1 (0.32) LRRK2ROCK2ROCK1ALDH1A1MEN1
SCHEMBL13082114 0.71 KDM4E (0.38) LRRK2ALDH1A1MEN1KMT2ACYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118056904-A Construction method of high-activity nitrilase mutant 安徽瑞邦生物科技有限公司 2024-05-21 CN claimed
CN-117904225-A Method for producing nicotinic acid by immobilized nitrilase 安徽瑞邦生物科技有限公司 2024-04-19 CN claimed
CN-116425317-A Application of microbial agent in pretreatment of 3-cyanopyridine wastewater 安徽瑞邦生物科技有限公司 2023-07-14 CN 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
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
EP-2203482-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS Bridgestone Corporation (JP) 2010-07-07 EP claimed
WO-2009051700-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (US) 2009-04-23 WO claimed
WO-2009051702-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION (JP) 2009-04-23 WO claimed
US-20090099325-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC NITRILE COMPOUNDS BRIDGESTONE CORPORATION 2009-04-16 US claimed
EP-0204535-B1 N-FLUOROPYRIDINIUM SALT AND PROCESS FOR PREPARING SAME SAGAMI CHEMICAL RESEARCH CENTER (JP) 1992-08-19 EP claimed
WO-2026102105-A1 FUNCTIONAL POLYBUTADIENE AND CARBON BLACK IN RUBBER COMPOUNDS BRIDGESTONE AMERICAS TIRE OPERATIONS, LLC (US) 2026-05-15 WO disclosed
CN-222969205-U Tar removing device of external circulation rectifying tower 天津博远新材料科技有限公司 2025-06-13 CN disclosed
EP-0204535-A1 N-fluoropyridinium salt and process for preparing same SAGAMI CHEMICAL RESEARCH CENTER (JP) 1986-12-10 EP disclosed
EP-0182111-A1 Process for the preparation of perhalogenated compounds BASF Aktiengesellschaft (DE) 1986-05-28 EP disclosed