SCHEMBL31031252

SCHEMBL31031252

Cn1cc(-c2ccc3c(c2)nc2cc(N4CC(F)C4)ccn23)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 7/20 0.48
KIT P10721 1/20 0.42
FLT3 P36888 3/20 0.37
PIK3CD O00329 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CB P42338 1/20 0.37
PI4KA P42356 1/20 0.37
PIK3CG P48736 1/20 0.37
PI4KB Q9UBF8 1/20 0.37
MET P08581 3/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
DRD2 P14416 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
WNT1 P04628 1/20 0.35
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35

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
SCHEMBL31031243 0.83 KIT (0.38) LRRK2KITFLT3METPDE3B
SCHEMBL31031217 0.79 HTR3E (0.40) PIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL31031221 0.79 HTR3E (0.40) PIK3CAPIK3CBPIK3CGGSK3B
SCHEMBL31031231 0.77 KDM4E (0.32)
SCHEMBL31031228 0.77 ALDH1A1 (0.32) PIK3CDPIK3CAPIK3CBPIK3CGALK
SCHEMBL31031244 0.77 KCNH2 (0.34)
SCHEMBL31031224 0.74 KDM4E (0.40)
SCHEMBL31031220 0.74
SCHEMBL31031256 0.73 KDM4E (0.37)
SCHEMBL18838764 0.72 IKBKB (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4658651-A1 NOVEL COMPOUNDS FOR TAU IMAGING Eli Lilly and Company (US) 2025-12-10 EP disclosed
WO-2024163546-A1 NOVEL COMPOUNDS FOR TAU IMAGING ELI LILLY AND COMPANY (US) 2024-08-08 WO disclosed