SCHEMBL22125086

SCHEMBL22125086

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)[C@H]2CCNC[C@H]2O)CC1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 17/20 0.49
▸ AURKB Q96GD4 6/20 0.42
▸ LCK P06239 6/20 0.42
▸ TTK P33981 3/20 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
SCHEMBL22124596 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL30177683 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL30177892 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL30177630 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL22124029 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL22124217 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL22153216 1.00 PTK6 (0.49) PTK6AURKBLCKTTK
SCHEMBL30177753 0.94 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22124399 0.94 PTK6 (0.48) PTK6AURKBLCKTTK
SCHEMBL22124235 0.92 PTK6 (0.50) 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 3 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 disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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