SCHEMBL22125040

SCHEMBL22125040

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCCN(C)CC5)c(C)c4)nccn23)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.50
▸ AURKB Q96GD4 4/20 0.43
▸ TTK P33981 2/20 0.42
▸ LCK P06239 5/20 0.41
▸ MAPKAPK5 Q8IW41 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL30177817 1.00 PTK6 (0.50) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22124498 0.97 PTK6 (0.53) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL30171606 0.97 PTK6 (0.53) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22124574 0.89 PTK6 (0.53) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL30177691 0.89 PTK6 (0.53) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL30171983 0.88 PTK6 (0.52) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22125155 0.88 PTK6 (0.52) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22142735 0.88 PTK6 (0.50) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22124013 0.88 PTK6 (0.52) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22125450 0.86 TTK (0.52) PTK6AURKBTTKLCKMAPKAPK5

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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