SCHEMBL22154351

SCHEMBL22154351

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)C6CC(OC(=O)[C@@H]7CCCN7)CN6)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 15/20 0.40
▸ AURKB Q96GD4 5/20 0.37
▸ LCK P06239 5/20 0.35
▸ TTK P33981 3/20 0.33
▸ MAPKAPK5 Q8IW41 1/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32

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
SCHEMBL30177571 1.00 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
Formic Acid SCHEMBL30177865 0.98 PTK6 (0.39) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139240 0.92 PTK6 (0.45) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139168 0.92 PTK6 (0.45) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139092 0.92 PTK6 (0.45) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22124550 0.89 PTK6 (0.39) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30177554 0.89 PTK6 (0.38) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22154227 0.89 PTK6 (0.38) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30177527 0.88 PTK6 (0.39) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL24870839 0.88 PTK6 (0.43) PTK6AURKBLCKTTKMAPKAPK5

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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