SCHEMBL25344682

SCHEMBL25344682

COc1cc(F)cc(F)c1-n1ncc2c(Cl)ncnc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.42
SLC2A3 P11169 8/20 0.42
CYP17A1 P05093 1/20 0.41
SLC2A2 P11168 3/20 0.41
PIP4K2A P48426 5/20 0.39
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
HPGD P15428 2/20 0.39
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PIK3CG P48736 1/20 0.39
PIP4K2C Q8TBX8 1/20 0.39
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL25342873 0.85 SLC2A1 (0.42) SLC2A1SLC2A3CYP17A1SLC2A2MAPT
SCHEMBL30568631 0.85 SLC2A1 (0.42) SLC2A1SLC2A3CYP17A1SLC2A2MAPT
SCHEMBL25342932 0.83 ALDH1A1 (0.34) SLC2A1SLC2A3CYP17A1SLC2A2MAPT
SCHEMBL25342581 0.81 LMNA (0.40) SLC2A1SLC2A3CYP17A1MAPTLMNA
SCHEMBL30568665 0.81 LMNA (0.40) SLC2A1SLC2A3CYP17A1MAPTLMNA
SCHEMBL25342907 0.81 CYP17A1 (0.43) SLC2A1SLC2A3CYP17A1SLC2A2MAPT
SCHEMBL25344741 0.81 SLC2A1 (0.56) SLC2A1SLC2A3CYP17A1SLC2A2PIP4K2A
SCHEMBL25344401 0.80 SLC2A1 (0.47) SLC2A1SLC2A3SLC2A2PIP4K2AMAPT
SCHEMBL25346439 0.78 MAPT (0.32) CYP17A1MAPTKDM4ENPC1RAB9A
SCHEMBL25342469 0.76 SLC2A1 (0.43) SLC2A1SLC2A3CYP17A1SLC2A2MAPT

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
EP-4739670-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2026-05-13 EP disclosed
WO-2025012057-A1 MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed
EP-4472739-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. Hoffmann-La Roche AG (CH) 2024-12-11 EP disclosed
WO-2023148129-A1 IMIDAZOLE MACROCYCLES FOR THE TREATMENT OF AUTOIMMUNE DISEASE F. HOFFMANN-LA ROCHE AG (CH) 2023-08-10 WO disclosed