SCHEMBL22124514

SCHEMBL22124514

COc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)C2CCNCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 18/20 0.50
▸ AURKB Q96GD4 7/20 0.49
▸ LCK P06239 7/20 0.41
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ MKNK1 Q9BUB5 1/20 0.37
▸ MKNK2 Q9HBH9 1/20 0.37

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
Formic Acid SCHEMBL30177995 0.97 PTK6 (0.48) PTK6AURKBLCKMAPKAPK5MKNK1
SCHEMBL22124012 0.94 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL30177870 0.94 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL30177993 0.93 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL22124009 0.93 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL24911078 0.90 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL22124057 0.90 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL22139162 0.90 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL30177662 0.90 PTK6 (0.46) PTK6AURKBLCK
Hydrochloric Acid SCHEMBL30171821 0.90 PTK6 (0.46) 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 5 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
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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