SCHEMBL22139149

SCHEMBL22139149

C#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6CCCN6)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 13/20 0.42
▸ AURKB Q96GD4 5/20 0.37
▸ TTK P33981 2/20 0.36
▸ LCK P06239 5/20 0.36
▸ PARP1 P09874 2/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ JAK2 O60674 2/20 0.34
▸ JAK1 P23458 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
SCHEMBL22139150 1.00 PTK6 (0.42) PTK6AURKBTTKLCKPARP1
SCHEMBL22154810 0.95 PTK6 (0.41) PTK6AURKBTTKLCKMAPKAPK5
SCHEMBL22142840 0.94 PTK6 (0.42) PTK6AURKBTTKLCKPARP1
SCHEMBL22139118 0.94 PTK6 (0.42) PTK6AURKBTTKLCKPARP1
SCHEMBL22139240 0.91 PTK6 (0.45) PTK6AURKBTTKLCKPARP1
SCHEMBL22139168 0.91 PTK6 (0.45) PTK6AURKBTTKLCKPARP1
SCHEMBL22139092 0.91 PTK6 (0.45) PTK6AURKBTTKLCKPARP1
SCHEMBL22123454 0.90 PTK6 (0.52) PTK6AURKBTTKLCK
SCHEMBL22123347 0.90 PTK6 (0.40) PTK6AURKBTTKLCK
SCHEMBL25014196 0.89 PTK6 (0.42) 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 2 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
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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