SCHEMBL22124378

SCHEMBL22124378

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(CN)CC5)c(C(F)F)c4)nccn23)cc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 3/20 0.47
▸ PTK6 Q13882 12/20 0.46
▸ AURKB Q96GD4 7/20 0.41
▸ TTK P33981 4/20 0.39
▸ SYK P43405 1/20 0.39
▸ LCK P06239 6/20 0.39

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
SCHEMBL30177740 1.00 MAPKAPK5 (0.47) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL22123974 0.91 PTK6 (0.48) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL30202027 0.91 PTK6 (0.47) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL22123902 0.91 PTK6 (0.47) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL30177658 0.91 PTK6 (0.47) MAPKAPK5PTK6AURKBTTKSYK
Hydrochloric Acid SCHEMBL30172070 0.91 PTK6 (0.47) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL22125182 0.91 PTK6 (0.47) MAPKAPK5PTK6AURKBTTKSYK
SCHEMBL22125110 0.91 PTK6 (0.58) MAPKAPK5PTK6AURKBLCK
Hydrochloric Acid SCHEMBL30171738 0.90 PTK6 (0.57) MAPKAPK5PTK6AURKBLCK
SCHEMBL22124055 0.89 PTK6 (0.48) MAPKAPK5PTK6AURKBTTKSYK

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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