SCHEMBL22124019

SCHEMBL22124019

CNC(C)C(=O)N1CCN(C(=O)c2ccc(Nc3nccn4c(-c5ccc(OC(F)F)cc5)cnc34)cc2C)CC1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.47
▸ TTK P33981 10/20 0.42
▸ AURKB Q96GD4 2/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.39
▸ LCK P06239 1/20 0.38

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
SCHEMBL22124452 1.00 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124018 1.00 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124476 0.92 PTK6 (0.48) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124478 0.92 PTK6 (0.48) PTK6TTKAURKBMAPKAPK5LCK
Hydrochloric Acid SCHEMBL25174698 0.91 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
Hydrochloric Acid SCHEMBL25174697 0.91 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124970 0.91 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124209 0.91 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124205 0.91 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK
SCHEMBL22124237 0.91 PTK6 (0.47) PTK6TTKAURKBMAPKAPK5LCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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