SCHEMBL22124000

SCHEMBL22124000

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCC(C(=O)NS(C)(=O)=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.39
▸ TTK P33981 2/20 0.35
▸ JAK2 O60674 13/20 0.34
▸ JAK1 P23458 13/20 0.34
▸ AURKB Q96GD4 2/20 0.34
▸ LCK P06239 2/20 0.34

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
SCHEMBL24870816 0.91 PTK6 (0.41) PTK6TTKJAK2JAK1AURKB
SCHEMBL30172088 0.91 PTK6 (0.41) PTK6TTKJAK2JAK1AURKB
SCHEMBL24112413 0.89 PTK6 (0.41) PTK6TTKJAK2JAK1AURKB
SCHEMBL22123847 0.89 PTK6 (0.38) PTK6TTKJAK2JAK1AURKB
SCHEMBL30183585 0.89 PTK6 (0.38) PTK6TTKJAK2JAK1AURKB
SCHEMBL22139127 0.88 PTK6 (0.48) PTK6TTKJAK2JAK1AURKB
SCHEMBL22124075 0.88 PTK6 (0.41) PTK6TTKJAK2JAK1AURKB
SCHEMBL25012985 0.88 PTK6 (0.41) PTK6TTKJAK2JAK1AURKB
SCHEMBL30172050 0.88 PTK6 (0.41) PTK6TTKJAK2JAK1AURKB
SCHEMBL22142951 0.88 PTK6 (0.40) PTK6TTKJAK2JAK1AURKB

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 6 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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN 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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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