SCHEMBL22124408

SCHEMBL22124408

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6CCNC6)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.50
▸ AURKB Q96GD4 6/20 0.46
▸ TTK P33981 3/20 0.43
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ LCK P06239 6/20 0.42

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
SCHEMBL30177965 1.00 PTK6 (0.50) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22124107 1.00 PTK6 (0.50) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22139095 1.00 PTK6 (0.50) PTK6AURKBTTKMAPKAPK5LCK
Hydrochloric Acid SCHEMBL25168762 0.99 PTK6 (0.49) PTK6AURKBTTKMAPKAPK5LCK
Hydrochloric Acid SCHEMBL30171957 0.99 PTK6 (0.49) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22124507 0.96 PTK6 (0.51) PTK6AURKBTTKMAPKAPK5LCK
Hydrochloric Acid SCHEMBL30171843 0.95 PTK6 (0.51) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22123898 0.92 PTK6 (0.49) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL30178103 0.92 PTK6 (0.49) PTK6AURKBTTKMAPKAPK5LCK
SCHEMBL22123864 0.92 PTK6 (0.55) PTK6AURKBTTKMAPKAPK5LCK

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-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
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