SCHEMBL29632510

SCHEMBL29632510

Nc1cccc(NC2CCCCC2)n1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSK P43235 2/20 0.59
NUDT1 P36639 1/20 0.49
MAP4K4 O95819 1/20 0.48
KDM4E B2RXH2 5/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 1/20 0.47
HRH4 Q9H3N8 4/20 0.47
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ABL1 P00519 1/20 0.44
RIN1 Q13671 1/20 0.44
MAOB P27338 1/20 0.43
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SYK P43405 1/20 0.41
CNR2 P34972 1/20 0.41
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL29632741 0.83 MAPK1 (0.46) CTSKPIM1PIM2
SCHEMBL29632662 0.83 CTSK (0.42) CTSKNUDT1MAP4K4HRH4SMN1; SMN2
SCHEMBL12290871 0.83 CCNT1 (0.45) CTSKNUDT1PIM1PIM3PIM2
SCHEMBL12293060 0.83 CCNT1 (0.45) CTSKNUDT1PIM1PIM3PIM2
SCHEMBL29682770 0.81 IRAK4 (0.53) HRH4PIM1PIM2
SCHEMBL29682485 0.81 IRAK4 (0.53) HRH4PIM1PIM2
SCHEMBL1196889 0.80 HRH4 (0.50) CTSKHRH4PIM1
Hydrochloric Acid SCHEMBL3113787 0.79 HRH4 (0.49) CTSKHRH4PIM1
SCHEMBL29632728 0.79 CTSK (0.59) CTSKNUDT1MAP4K4KDM4EGAA
SCHEMBL18284684 0.77 MKNK1 (0.39) CTSKPIM1

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-2022086284-A1 PROTEIN KINASE INHIBITOR AND USE THEREOF (주)메디톡스 2022-04-28 WO disclosed