SCHEMBL30953877

SCHEMBL30953877

Nc1nc2c(s1)CCc1cc(C(F)(F)F)ccc1-2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 8/20 0.60
FBP1 P09467 7/20 0.57
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
MPI P34949 1/20 0.51
EPHX2 P34913 1/20 0.47
SCN4A P35499 1/20 0.47
CHEK1 O14757 1/20 0.47
DAPK3 O43293 1/20 0.47
LTK P29376 1/20 0.47
MAPK8 P45983 1/20 0.47
CSNK1A1 P48729 1/20 0.47
CDK8 P49336 1/20 0.47
LIMK1 P53667 1/20 0.47
CDK5 Q00535 1/20 0.47
DYRK1A Q13627 1/20 0.47
LRRK2 Q5S007 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK1B Q9Y463 1/20 0.47

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
SCHEMBL30953732 0.89 ADORA1 (0.58) ADORA1FBP1CHEK1DAPK3LTK
SCHEMBL30953799 0.80 FBP1 (0.46) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL15174702 0.79 ADORA1 (0.63) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL1801705 0.79 ADORA1 (0.63) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL1813084 0.79 ADORA1 (0.63) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL30953825 0.77 KDM4E (0.60) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL1815237 0.76 ADORA1 (0.97) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL30953833 0.75 ADORA1 (0.97) ADORA1FBP1KDM4EALDH1A1MAPT
SCHEMBL1745165 0.75 ADORA1 (0.97) ADORA1FBP1KDM4EALDH1A1MAPT
Bromide SCHEMBL2762927 0.75 ADORA1 (0.95) ADORA1FBP1KDM4EALDH1A1MAPT

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