SCHEMBL22124126

SCHEMBL22124126

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)CN(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 11/20 0.41
▸ AURKB Q96GD4 3/20 0.36
▸ CDK2 P24941 1/20 0.36
▸ JAK2 O60674 5/20 0.34
▸ JAK1 P23458 5/20 0.34
▸ LCK P06239 3/20 0.34
▸ TTK P33981 1/20 0.34
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ MAP3K7 O43318 1/20 0.33
▸ TAB1 Q15750 1/20 0.33

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
SCHEMBL30177768 1.00 PTK6 (0.41) PTK6AURKBCDK2JAK2JAK1
SCHEMBL22125329 0.93 PTK6 (0.49) PTK6AURKBLCK
SCHEMBL30386412 0.92 PTK6 (0.42) PTK6AURKBJAK2JAK1LCK
SCHEMBL30385634 0.92 PTK6 (0.38) PTK6AURKBJAK2JAK1LCK
SCHEMBL24870916 0.91 PTK6 (0.40) PTK6AURKBJAK2JAK1LCK
SCHEMBL25450783 0.91 PTK6 (0.41) PTK6AURKBJAK2JAK1LCK
Iodide SCHEMBL28982216 0.90 PTK6 (0.40) PTK6AURKBJAK2JAK1LCK
SCHEMBL24112553 0.90 PTK6 (0.42) PTK6AURKBJAK2JAK1LCK
SCHEMBL22123779 0.89 PTK6 (0.52) PTK6AURKBLCKTTK
SCHEMBL30385550 0.89 PTK6 (0.36) PTK6AURKBJAK2JAK1LCK

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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN 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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