SCHEMBL22124014

SCHEMBL22124014

Cc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4Cl)cnc23)ccc1C(=O)N1CCC(C(=O)N2CCN[C@@H](CO)C2)CC1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.44
▸ LCK P06239 8/20 0.36
▸ AURKB Q96GD4 7/20 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
SCHEMBL30177693 1.00 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22124034 1.00 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22124238 1.00 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL30177798 1.00 PTK6 (0.44) PTK6LCKAURKB
Trifluoroacetic Acid SCHEMBL25174610 0.97 PTK6 (0.41) PTK6LCKAURKB
Trifluoroacetic Acid SCHEMBL30401969 0.97 PTK6 (0.41) PTK6LCKAURKB
SCHEMBL22125144 0.95 PTK6 (0.42) PTK6LCKAURKB
SCHEMBL22125059 0.95 PTK6 (0.42) PTK6LCKAURKB
SCHEMBL22124065 0.95 PTK6 (0.42) PTK6LCKAURKB
SCHEMBL30193224 0.95 PTK6 (0.42) PTK6LCKAURKB

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
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
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