SCHEMBL19669604

SCHEMBL19669604

O=C1NC(c2cccs2)=C2CNC(c3cccs3)=C12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTK P29376 1/20 0.44
CDK5 Q00535 1/20 0.44
MST1R Q04912 1/20 0.44
DYRK1A Q13627 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
GSK3B P49841 4/20 0.36
PRKCA P17252 1/20 0.36
SLC6A11 P48066 1/20 0.36
HSD17B10 Q99714 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NISCH Q9Y2I1 1/20 0.35
ALOX5 P09917 1/20 0.34
POLB P06746 1/20 0.33
PARP1 P09874 1/20 0.33
MAOA P21397 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
TYMP P19971 1/20 0.33

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
SCHEMBL20175872 0.80 LTK (0.37) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL167973 0.79 SLC6A11 (0.44) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL2397573 0.76 GSK3B (0.47) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL13923459 0.74 HSD17B10 (0.40) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL12424781 0.72 CYP2E1 (0.41) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL16369828 0.72 GSK3B (0.56) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL14757441 0.71 SLC6A11 (0.41) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL24450092 0.70 GSK3B (0.39) CLK4GSK3BKMT2ACA12CA9
SCHEMBL12424797 0.70 GSK3B (0.51) LTKCDK5MST1RDYRK1ACLK4
SCHEMBL2607138 0.70 GSK3B (0.38) LTKCDK5MST1RDYRK1ACLK4

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-20210009895-A1 LUMINESCENT JANUS-TYPE, TWO-COORDINATED METAL COMPLEXES UNIVERSITY OF SOUTHERN CALIFORNIA 2021-01-14 US disclosed
US-9834640-B2 Nanoparticles CHROMITION LIMITED (GB) 2017-12-05 US disclosed