SCHEMBL25801935

SCHEMBL25801935

CC(C)c1cnn(C2CCCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.44
CHRNA4 P43681 3/20 0.44
JAK2 O60674 5/20 0.42
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP3A5 P20815 2/20 0.41
CYP3A7 P24462 2/20 0.41
CYP2C19 P33261 2/20 0.41
PDK4 Q16654 2/20 0.41
CYP3A43 Q9HB55 2/20 0.41
GSK3B P49841 1/20 0.40
DYRK1A Q13627 1/20 0.40
JAK1 P23458 2/20 0.39
TYK2 P29597 2/20 0.39
JAK3 P52333 2/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
ACVRL1 P37023 2/20 0.38
ACVR1 Q04771 2/20 0.38
IRAK4 Q9NWZ3 2/20 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
SCHEMBL12536251 0.94 CHRNB2 (0.48) CHRNB2CHRNA4JAK2CYP1A2CYP3A4
SCHEMBL12505408 0.88 JAK2 (0.42) CHRNB2CHRNA4JAK2JAK1TYK2
SCHEMBL14962150 0.86 ACHE (0.44) JAK2JAK1TYK2JAK3ACHE
SCHEMBL2737310 0.86 ACHE (0.47) CHRNB2CHRNA4JAK2JAK1TYK2
SCHEMBL10141501 0.84 ACHE (0.46) CHRNB2CHRNA4JAK2JAK1TYK2
SCHEMBL10141528 0.82 KDM5B (0.39) CHRNB2CHRNA4JAK2ACHEKDM5B
SCHEMBL24086679 0.82 CHRNB2 (0.46) CHRNB2CHRNA4JAK2CYP1A2CYP3A4
SCHEMBL24747359 0.78 CHRNB2 (0.43) CHRNB2CHRNA4JAK2CYP1A2CYP3A4
SCHEMBL17306121 0.78 KHK (0.35) CHRNB2CHRNA4JAK2CYP1A2CYP3A4
SCHEMBL22794284 0.77 ACHE (0.40) ACVRL1ACVR1ACHEKDM5B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023115150-A1 BIFUNCTIONAL ARYLSULPHONAMIDE COMPOUNDS Anaxis Pharma Pty Ltd (AU) 2023-06-29 WO disclosed