SCHEMBL31031245

SCHEMBL31031245

C=C(F)c1ccc2c(c1)nc1cc(Cl)ccn12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
GLA P06280 3/20 0.38
GAA P10253 3/20 0.38
HPGD P15428 3/20 0.38
POLB P06746 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CSNK2A2 P19784 2/20 0.37
CSNK2B P67870 2/20 0.37
CSNK2A1 P68400 2/20 0.37
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
PARP1 P09874 1/20 0.33
MMP1 P03956 1/20 0.31
MMP14 P50281 1/20 0.31
ADAMTS5 Q9UNA0 1/20 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
SCHEMBL31031214 0.76 MAPK8 (0.32)
SCHEMBL31031242 0.75 KDM4E (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31031215 0.66 KDM4E (0.54) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31031253 0.63 KDM4E (0.50) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL31031257 0.61 ALDH1A1 (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16552320 0.61 KDM4E (0.48) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL24738862 0.60 PARP1 (0.52) KDM4EALDH1A1GAAHPGDPOLB
SCHEMBL16552268 0.60 HTR3E (0.43) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29318990 0.59 ALK (0.38) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL208022 0.59 CES2 (0.48) KDM4EALDH1A1MAPT

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