SCHEMBL22124309

SCHEMBL22124309

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)C6CCNCC6)CC5)c(C)c4)nccn23)c(Cl)c1F

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.51
▸ AURKB Q96GD4 7/20 0.44
▸ LCK P06239 7/20 0.41

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
SCHEMBL30177684 1.00 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL22139128 0.96 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL30177858 0.96 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL22124113 0.96 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL30177870 0.94 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL22124012 0.94 PTK6 (0.49) PTK6AURKBLCK
Formic Acid SCHEMBL30171594 0.94 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL22139090 0.93 PTK6 (0.58) PTK6AURKBLCK
SCHEMBL22160902 0.93 PTK6 (0.49) PTK6AURKBLCK
Hydrochloric Acid SCHEMBL30172053 0.93 PTK6 (0.57) PTK6AURKBLCK

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 7 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-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-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
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