SCHEMBL30340643

SCHEMBL30340643

CN1CCN(c2ccc(N)c(C(F)(F)F)c2)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.61
MAPT P10636 3/20 0.61
KDM4E B2RXH2 3/20 0.61
PTK2B Q14289 2/20 0.61
MAPK1 P28482 1/20 0.61
HTT P42858 1/20 0.61
RECQL P46063 1/20 0.61
SIRT6 Q8N6T7 3/20 0.59
ADRA2C P18825 3/20 0.51
ALDH1A1 P00352 3/20 0.51
KMT2A Q03164 2/20 0.51
GFER P55789 1/20 0.51
ESR2 Q92731 1/20 0.51
HTR3A P46098 1/20 0.46
NR1H2 P55055 1/20 0.44
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
PDK2 Q15119 1/20 0.44
NPC1 O15118 1/20 0.43

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
SCHEMBL13068417 1.00 GAA (0.61) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL22169101 0.87 MAPT (0.57) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL30900463 0.87 MAPT (0.57) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL2053813 0.85 GAA (0.51) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL962246 0.85 HTT (0.56) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL2012912 0.83 HTT (0.59) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL2978442 0.83 MAPT (0.47) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL22652075 0.83 KDM4E (0.59) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL21448004 0.82 SIRT6 (0.61) GAAMAPTKDM4EPTK2BMAPK1
SCHEMBL3598014 0.81 SIRT6 (0.44) GAAMAPTKDM4EPTK2BMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119431239-A Compounds, pharmaceutical compositions, kits and uses thereof 密执安大学评议会 2025-02-14 CN disclosed
CN-113710241-B Substituted bicyclic and tetracyclic quinones and related methods of use 密执安大学评议会 2024-11-15 CN disclosed
EP-4402127-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL Business Ltd (GB) 2024-07-24 EP disclosed
WO-2023041905-A1 AMINOPYRIDINES AS ACTIVATORS OF PI3 KINASE UCL BUSINESS LTD (GB) 2023-03-23 WO disclosed