SCHEMBL22142840

SCHEMBL22142840

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)N1CCN(C(=O)[C@@H]2CCCN2)CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 4/20 0.42
▸ JAK2 O60674 13/20 0.37
▸ JAK1 P23458 12/20 0.37
▸ AURKB Q96GD4 3/20 0.37
▸ TTK P33981 2/20 0.36
▸ LCK P06239 1/20 0.36
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL22139118 1.00 PTK6 (0.42) PTK6JAK2JAK1AURKBTTK
SCHEMBL22139129 0.95 PTK6 (0.44) PTK6JAK2JAK1AURKBTTK
SCHEMBL22154480 0.95 PTK6 (0.44) PTK6JAK2JAK1AURKBTTK
SCHEMBL22139150 0.94 PTK6 (0.42) PTK6JAK2JAK1AURKBTTK
SCHEMBL22139149 0.94 PTK6 (0.42) PTK6JAK2JAK1AURKBTTK
SCHEMBL22139080 0.93 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL22153157 0.93 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL24910545 0.92 PTK6 (0.40) PTK6JAK2JAK1AURKBTTK
SCHEMBL22124325 0.91 PTK6 (0.46) PTK6JAK2JAK1AURKBTTK
SCHEMBL22139092 0.91 PTK6 (0.45) PTK6AURKBTTKLCKPARP1

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-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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