SCHEMBL22160923

SCHEMBL22160923

CCc1cc(-c2cnc3c(Nc4ccc(C(=O)NCCC5(O)CCNCC5)c(C)c4)nccn23)ccc1OC

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 13/20 0.45
▸ PTK6 Q13882 4/20 0.43
▸ AURKB Q96GD4 2/20 0.40
▸ LCK P06239 1/20 0.36
▸ SYK P43405 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35

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
SCHEMBL22122929 0.92 TTK (0.46) TTKPTK6AURKBSYKMAPKAPK5
SCHEMBL22123099 0.85 TTK (0.46) TTKPTK6AURKBSYKMAPKAPK5
SCHEMBL24870863 0.83 TTK (0.45) TTKPTK6AURKBLCKSYK
SCHEMBL30171599 0.83 TTK (0.45) TTKPTK6AURKBLCKSYK
SCHEMBL25014255 0.82 TTK (0.48) TTKPTK6MAPKAPK5
SCHEMBL22123049 0.80 TTK (0.46) TTKPTK6AURKBSYKMAPKAPK5
SCHEMBL22122944 0.80 PTK6 (0.47) TTKPTK6AURKBLCKMAPKAPK5
SCHEMBL30183184 0.79 TTK (0.46) TTKPTK6AURKBMAPKAPK5
SCHEMBL22122897 0.78 TTK (0.46) TTKPTK6AURKBMAPKAPK5
SCHEMBL22123797 0.78 PTK6 (0.45) TTKPTK6AURKBMAPKAPK5

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
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
Send feedback