SCHEMBL25344441

SCHEMBL25344441

Fc1ccc(-n2ncc3c(Cl)ncnc32)c(OC(F)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 8/20 0.42
SLC2A3 P11169 8/20 0.42
SLC2A2 P11168 3/20 0.41
CYP17A1 P05093 4/20 0.39
CYP1A2 P05177 2/20 0.39
TP53 P04637 2/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 2/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 2/20 0.38
P2RX7 Q99572 1/20 0.36
PIP4K2A P48426 2/20 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
SCHEMBL25977132 0.90 SLC2A1 (0.42) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL30568613 0.86 SLC2A1 (0.42) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25344639 0.86 SLC2A1 (0.42) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25344741 0.86 SLC2A1 (0.56) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25343109 0.84 SLC2A1 (0.45) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25341819 0.84 SLC2A1 (0.42) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25343612 0.83 SLC2A1 (0.48) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25344635 0.82 CYP17A1 (0.56) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL25343170 0.82 SLC2A1 (0.43) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2
SCHEMBL30568477 0.82 SLC2A1 (0.43) SLC2A1SLC2A3SLC2A2CYP17A1CYP1A2

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-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