SCHEMBL22124105

SCHEMBL22124105

CCc1cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)ccc1C(=O)N1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 17/20 0.55
▸ AURKB Q96GD4 8/20 0.49
▸ LCK P06239 7/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 0.38
▸ LRRK2 Q5S007 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
SCHEMBL22154344 0.94 PTK6 (0.54) PTK6AURKBLCKMKNK1MKNK2
SCHEMBL22124009 0.93 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL30177993 0.93 PTK6 (0.48) PTK6AURKBLCK
SCHEMBL22124899 0.91 PTK6 (0.56) PTK6AURKBLCKMKNK1MKNK2
SCHEMBL30177799 0.91 PTK6 (0.56) PTK6AURKBLCKMKNK1MKNK2
Hydrochloric Acid SCHEMBL25173591 0.91 PTK6 (0.55) PTK6AURKBLCKMKNK1MKNK2
SCHEMBL30183124 0.90 PTK6 (0.46) PTK6AURKBLCKMAPKAPK5
SCHEMBL22142955 0.89 PTK6 (0.44) PTK6AURKBLCKMAPKAPK5
SCHEMBL22139096 0.89 PTK6 (0.44) PTK6AURKBLCKMAPKAPK5
SCHEMBL22142746 0.89 PTK6 (0.47) PTK6AURKBLCKMAPKAPK5

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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