SCHEMBL30677351

SCHEMBL30677351

Cc1cccc(-n2cnc3c(OCc4ccccc4)ncnc32)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAPK1 P53355 3/20 0.56
SLC29A1 Q99808 1/20 0.44
GALR3 O60755 1/20 0.42
NR2F2 P24468 1/20 0.42
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
ATP4A P20648 1/20 0.40
ATP4B P51164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
GRM5 P41594 1/20 0.37
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
FLT4 P35916 1/20 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
SCHEMBL30677252 0.81 DAPK1 (0.55) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL30677395 0.78 DAPK1 (0.55) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL30677471 0.78 CSNK1D (0.47) ALDH1A1TSHRMAPK1HTT
SCHEMBL30677436 0.77 DAPK1 (0.56) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL4633166 0.73 DAPK1 (0.68) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL17115734 0.73 DAPK1 (0.64) DAPK1SLC29A1HPGDALDH1A1LMNA
SCHEMBL17115735 0.72 DAPK1 (1.00) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL1404487 0.69 DAPK1 (0.58) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL1404491 0.68 DAPK1 (0.72) DAPK1SLC29A1GALR3NR2F2HPGD
SCHEMBL17115733 0.68 DAPK1 (1.00) DAPK1SLC29A1GALR3NR2F2HPGD

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-2024014885-A1 NOVEL BICYCLIC HETEROARYL COMPOUND AND USE THEREOF 일동제약(주) 2024-01-18 WO disclosed