SCHEMBL25424554

SCHEMBL25424554

Nc1nc2cc(F)cc(Br)c2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.44
AXL P30530 1/20 0.44
GFER P55789 1/20 0.44
ALDH1A1 P00352 5/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 1/20 0.35
SCN4A P35499 2/20 0.34
EPHX2 P34913 1/20 0.34
MAPT P10636 3/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
RAB9A P51151 2/20 0.33
BLM P54132 2/20 0.33
GAA P10253 2/20 0.33
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
APAF1 O14727 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
NR4A1 P22736 1/20 0.33

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
SCHEMBL30720790 1.00 SMN1; SMN2 (0.44) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL25423809 0.81 SMN1; SMN2 (0.44) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL1748005 0.81 SMN1; SMN2 (0.47) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL30389176 0.81 SMN1; SMN2 (0.47) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL1282789 0.81 SMN1; SMN2 (0.47) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL219725 0.81 SMN1; SMN2 (0.47) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL1707911 0.78 SMN1; SMN2 (0.68) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL219616 0.78 SMN1; SMN2 (0.44) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL27264665 0.77 SCN4A (0.49) SMN1; SMN2AXLGFERALDH1A1TP53
SCHEMBL18038426 0.75 CYP3A4 (0.50) SMN1; SMN2ALDH1A1TP53CYP3A4TSHR

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
WO-2024026483-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2024026479-A2 CDK2 INHIBITORS AND METHODS OF USING THE SAME CEDILLA THERAPEUTICS, INC. (US) 2024-02-01 WO disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed
WO-2023118267-A1 NOVEL GALACTOSIDE INHIBITOR OF GALECTINS GALECTO BIOTECH AB (DK) 2023-06-29 WO disclosed