SCHEMBL2228050

SCHEMBL2228050

CCNc1ccnc(SC)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
KMT2A Q03164 1/20 0.48
TLR8 Q9NR97 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
MAPK13 O15264 2/20 0.38
MAPK12 P53778 2/20 0.38
MAPK11 Q15759 2/20 0.38
MAPK14 Q16539 2/20 0.38
NUDT1 P36639 2/20 0.38
KCNH2 Q12809 1/20 0.37
CACNA1C Q13936 1/20 0.37
SCN5A Q14524 1/20 0.37
HRH3 Q9Y5N1 3/20 0.36
LMNA P02545 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
CCNA2 P20248 1/20 0.36
CDK2 P24941 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
SCHEMBL19701004 0.81 NUDT1 (0.51) MEN1NPC1RAB9AKMT2ATLR8
SCHEMBL5914036 0.79 MEN1 (0.51) MEN1NPC1RAB9AKMT2ALMNA
SCHEMBL5676069 0.78 NUDT1 (0.46) MEN1NPC1RAB9AKMT2ATLR8
SCHEMBL28158326 0.77 MEN1 (0.44) MEN1NPC1RAB9AKMT2ATLR8
SCHEMBL1163079 0.77 KMT2A (0.50) MEN1NPC1RAB9AKMT2AHRH4
SCHEMBL27895804 0.77 MEN1 (0.50) MEN1NPC1RAB9AKMT2AMAPK14
SCHEMBL28158210 0.76 MEN1 (0.49) MEN1NPC1RAB9AKMT2AMAPK13
SCHEMBL171800 0.75 HRH4 (0.46) TLR8HRH4NUDT1KCNH2CACNA1C
SCHEMBL28157934 0.74 MEN1 (0.48) MEN1NPC1RAB9AKMT2AHRH4
SCHEMBL1519145 0.73 TLR8 (0.42) TLR8HRH4NUDT1KCNH2CACNA1C

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3464281-A1 MUTANT IDH1 INHIBITORS Eli Lilly and Company (US) 2019-04-10 EP disclosed
CN-109311863-A Saltant type IDH1 inhibitor 伊莱利利公司 2019-02-05 CN disclosed
CN-108864081-A Fgfr4 inhibitor and its preparation and application 南京圣和药业股份有限公司 2018-11-23 CN disclosed
WO-2017213910-A1 MUTANT IDH1 INHIBITORS ELI LILLY AND COMPANY (US) 2017-12-14 WO disclosed
EP-2521726-B1 5-OXO-5,8-DIHYDROPYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASES INHIBITORS FOR THE TREATMENT OF CARDIOVASCULAR DISEASES SANOFI SA (FR) 2013-12-18 EP disclosed
EP-2521726-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D]PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI (FR) 2012-11-14 EP disclosed
WO-2011086306-A9 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-10-27 WO disclosed
WO-2011086306-A1 5-OXO-5, 8-DIHYDROPYRIDO [2, 3-D] PYRIMIDINE DERIVATIVES AS CAMKII KINASE INHIBITORS FOR TREATING CARDIOVASCULAR DISEASES SANOFI-AVENTIS (FR) 2011-07-21 WO disclosed