SCHEMBL22139158

SCHEMBL22139158

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(C)=O)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.46
▸ AURKB Q96GD4 5/20 0.42
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ LCK P06239 5/20 0.37
▸ SYK P43405 2/20 0.37
▸ IGF1R P08069 2/20 0.37
▸ TTK P33981 1/20 0.36

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
SCHEMBL25170317 0.94 PTK6 (0.46) PTK6AURKBMAPKAPK5LCKSYK
SCHEMBL22139237 0.93 PTK6 (0.48) PTK6AURKBLCKIGF1R
SCHEMBL25444811 0.92 PTK6 (0.44) PTK6AURKBMAPKAPK5LCKSYK
SCHEMBL22124899 0.92 PTK6 (0.56) PTK6AURKBLCKTTK
SCHEMBL24112364 0.92 PTK6 (0.56) PTK6AURKBLCK
SCHEMBL30177799 0.92 PTK6 (0.56) PTK6AURKBLCKTTK
SCHEMBL30178012 0.91 PTK6 (0.44) PTK6AURKBMAPKAPK5LCKSYK
Hydrochloric Acid SCHEMBL25173591 0.91 PTK6 (0.55) PTK6AURKBLCKTTK
SCHEMBL22124402 0.91 PTK6 (0.54) PTK6AURKBLCK
SCHEMBL24916505 0.91 PTK6 (0.43) PTK6AURKBMAPKAPK5LCKTTK

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
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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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