SCHEMBL22124509

SCHEMBL22124509

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

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 10/20 0.42
▸ AURKB Q96GD4 3/20 0.39
▸ TTK P33981 4/20 0.38
▸ SYK P43405 5/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ LCK P06239 2/20 0.35

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
SCHEMBL22124496 1.00 PTK6 (0.42) PTK6AURKBTTKSYKMAPKAPK5
SCHEMBL22124096 1.00 PTK6 (0.42) PTK6AURKBTTKSYKMAPKAPK5
Hydrochloric Acid SCHEMBL25174699 0.99 PTK6 (0.41) PTK6AURKBTTKSYKMAPKAPK5
SCHEMBL22124006 0.94 PTK6 (0.43) PTK6AURKBTTKSYKMAPKAPK5
SCHEMBL22124005 0.94 PTK6 (0.43) PTK6AURKBTTKSYKMAPKAPK5
SCHEMBL22124016 0.94 PTK6 (0.43) PTK6AURKBTTKSYKMAPKAPK5
Formic Acid SCHEMBL30171793 0.92 PTK6 (0.42) PTK6AURKBTTKSYKLCK
Formic Acid SCHEMBL30171717 0.92 PTK6 (0.42) PTK6AURKBTTKSYKLCK
SCHEMBL22124078 0.91 PTK6 (0.43) PTK6AURKBTTKSYKMAPKAPK5
SCHEMBL22139116 0.90 PTK6 (0.41) PTK6AURKBTTKSYKMAPKAPK5

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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