SCHEMBL22124113

SCHEMBL22124113

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6CCNC6)CC5)c(C)c4)nccn23)c(Cl)c1F

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 19/20 0.48
▸ AURKB Q96GD4 6/20 0.42
▸ LCK P06239 6/20 0.39
▸ TTK P33981 1/20 0.37

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
SCHEMBL30177858 1.00 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22139128 1.00 PTK6 (0.48) PTK6AURKBLCKTTK
Formic Acid SCHEMBL30171594 0.97 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22124309 0.96 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL30177684 0.96 PTK6 (0.51) PTK6AURKBLCK
SCHEMBL24911078 0.94 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22139162 0.94 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22124057 0.94 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL30177662 0.94 PTK6 (0.46) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL30171821 0.94 PTK6 (0.46) PTK6AURKBLCKTTK

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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