SCHEMBL9323308

SCHEMBL9323308

Cn1c(N)cc(=S)nc1N

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.34
NTRK1 P04629 1/20 0.34
LTK P29376 1/20 0.34
TYRO3 Q06418 1/20 0.34
NTRK2 Q16620 1/20 0.34
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
LIMK1 P53667 1/20 0.33
TNK2 Q07912 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
PRMT5 O14744 1/20 0.32
KDM4E B2RXH2 1/20 0.32
BACE1 P56817 1/20 0.31
LTB4R Q15722 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL8871239 0.68 NOS3 (0.33)
SCHEMBL6542445 0.68 CLK4 (0.34) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL5039678 0.67 CLK4 (0.41) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL9325193 0.62 NTRK1 (0.32) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL5044668 0.61 ATAD2 (0.46) KDM4EMAPT
SCHEMBL12032548 0.60
SCHEMBL5173348 0.60
SCHEMBL6403829 0.59 BACE1 (0.49) KDM4EBACE1
SCHEMBL31210378 0.58 ADORA2A (0.46) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL9282809 0.58 CLK4 (0.38) CLK4NTRK1LTKTYRO3NTRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5292733-A Cephalosporin compounds LUCKY LIMITED (KR) 1994-03-08 US disclosed
EP-0508375-A2 Novel cephalosporin compounds and processes for preparation thereof LUCKY LTD. (KR) 1992-10-14 EP disclosed