SCHEMBL8524121

SCHEMBL8524121

NC(=O)Sc1cn2ccncc2n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 1/20 0.46
DYRK1A Q13627 1/20 0.46
HRH4 Q9H3N8 1/20 0.44
ROCK1 Q13464 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TSHR P16473 1/20 0.33
MC4R P32245 1/20 0.33
ADRA1A P35348 1/20 0.33
MC3R P41968 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SYK P43405 1/20 0.32

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
SCHEMBL12466875 0.76 HRH4 (0.57) CLK1DYRK1AHRH4ROCK1PDE3B
SCHEMBL22607307 0.75 HRH4 (0.42) CLK1DYRK1AHRH4PDE3BPDE3A
SCHEMBL1812266 0.70 HRH4 (0.58) CLK1DYRK1AHRH4ROCK1PDE3B
SCHEMBL17324741 0.69 HRH4 (0.61) CLK1DYRK1AHRH4ROCK1PDE3B
SCHEMBL8524119 0.69 HRH4 (0.50) CLK1DYRK1AHRH4ROCK1PDE3B
SCHEMBL30980411 0.69 CYP1A2 (0.61) CLK1DYRK1AHRH4ROCK1ADORA3
SCHEMBL5275762 0.69 HRH4 (0.42) CLK1DYRK1AHRH4ROCK1PDE3B
SCHEMBL31295445 0.67 HRH4 (0.51) CLK1DYRK1AHRH4ROCK1DRD2
SCHEMBL30173383 0.66 CLK1 (0.61) CLK1DYRK1AHRH4ROCK1PDE3B
SCHEMBL17321412 0.66 HRH4 (0.57) CLK1DYRK1AHRH4ROCK1PDE3B

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-1999015524-A1 THIAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-04-01 WO disclosed