SCHEMBL22160085

SCHEMBL22160085

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCC5C=COCC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.40
▸ MAPKAPK5 Q8IW41 3/20 0.37
▸ TTK P33981 4/20 0.35
▸ LCK P06239 4/20 0.34
▸ AURKB Q96GD4 3/20 0.34
▸ AXL P30530 2/20 0.34
▸ EGFR P00533 2/20 0.33
▸ ADORA3 P0DMS8 1/20 0.33
▸ CSF1R P07333 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
SCHEMBL22122927 0.88 TTK (0.45) PTK6MAPKAPK5TTK
SCHEMBL22123879 0.86 PTK6 (0.48) PTK6TTKLCKAURKB
SCHEMBL22154151 0.86 PTK6 (0.42) PTK6TTKLCKAURKBADORA3
SCHEMBL30172049 0.86 PTK6 (0.42) PTK6TTKLCKAURKBADORA3
SCHEMBL22123835 0.85 PTK6 (0.42) PTK6TTKLCKAURKB
SCHEMBL30171819 0.84 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL22139109 0.84 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL24112398 0.84 PTK6 (0.44) PTK6TTKLCKAURKBAXL
SCHEMBL22139113 0.82 PTK6 (0.48) PTK6MAPKAPK5LCKAURKBCSF1R
SCHEMBL30172107 0.82 PTK6 (0.48) PTK6MAPKAPK5LCKAURKBCSF1R

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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