SCHEMBL30953763

SCHEMBL30953763

Nc1nc2c(s1)COc1cc(Br)ccc1-2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.65
ALDH1A1 P00352 2/20 0.65
LMNA P02545 1/20 0.65
GAA P10253 1/20 0.65
ADORA1 P30542 15/20 0.43
CHEK1 O14757 1/20 0.43
DAPK3 O43293 1/20 0.43
LTK P29376 1/20 0.43
MAPK8 P45983 1/20 0.43
CSNK1A1 P48729 1/20 0.43
CDK8 P49336 1/20 0.43
LIMK1 P53667 1/20 0.43
CDK5 Q00535 1/20 0.43
DYRK1A Q13627 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
DYRK1B Q9Y463 1/20 0.43
FBP1 P09467 1/20 0.39
MAPT P10636 1/20 0.36
MPI P34949 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
SCHEMBL1484798 0.86 KDM4E (0.48) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953632 0.83 KDM4E (0.65) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953825 0.80 KDM4E (0.60) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953739 0.80 ADORA1 (0.61) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL9206837 0.79 KDM4E (1.00) KDM4EALDH1A1LMNAGAAADORA1
Iodide SCHEMBL4960911 0.78 KDM4E (0.97) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL15075787 0.77 KDM4E (0.56) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953618 0.74 KDM4E (0.65) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL30953684 0.74 KDM4E (0.65) KDM4EALDH1A1LMNAGAAADORA1
SCHEMBL15174702 0.74 ADORA1 (0.63) KDM4EALDH1A1ADORA1CHEK1DAPK3

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-2024140431-A1 COMPOUNDS COMPRISING HETEROARYL RINGS AND COMPOSITIONS AND METHODS THEREOF IONGEN THERAPEUTICS CO., LTD. (CN) 2024-07-04 WO disclosed