SCHEMBL22123547

SCHEMBL22123547

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC(=O)N5CCN(C(=O)OC(C)(C)C)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.40
▸ PTK6 Q13882 3/20 0.39
▸ TTK P33981 5/20 0.39
▸ CFTR P13569 2/20 0.36
▸ GALR2 O43603 1/20 0.36
▸ GALR1 P47211 1/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ GPR119 Q8TDV5 3/20 0.35
▸ SYK P43405 2/20 0.35
▸ ERBB2 P04626 2/20 0.35
▸ ALK Q9UM73 1/20 0.34

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
SCHEMBL22124388 0.94 MAPKAPK5 (0.40) MAPKAPK5PTK6TTKCFTRGALR2
SCHEMBL22123086 0.91 PTK6 (0.48) MAPKAPK5PTK6TTKAURKB
SCHEMBL22123525 0.88 PTK6 (0.48) MAPKAPK5PTK6TTKAURKB
SCHEMBL22123692 0.87 MAPKAPK5 (0.43) MAPKAPK5PTK6TTKAURKBSYK
SCHEMBL22123388 0.86 PTK6 (0.47) MAPKAPK5PTK6TTKAURKBSYK
SCHEMBL22124330 0.85 MAPKAPK5 (0.42) MAPKAPK5PTK6TTKAURKBSYK
SCHEMBL24977897 0.84 PTK6 (0.47) MAPKAPK5PTK6TTKAURKB
SCHEMBL22139063 0.84 PTK6 (0.49) MAPKAPK5PTK6TTKAURKB
SCHEMBL30183522 0.84 PTK6 (0.49) MAPKAPK5PTK6TTKAURKB
SCHEMBL22122913 0.84 MAPKAPK5 (0.41) MAPKAPK5PTK6TTKAURKBSYK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
Send feedback