SCHEMBL22124235

SCHEMBL22124235

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)[C@H]2CCNC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 17/20 0.50
▸ TTK P33981 3/20 0.43
▸ AURKB Q96GD4 6/20 0.42
▸ 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
SCHEMBL30178078 1.00 PTK6 (0.50) PTK6TTKAURKBLCK
SCHEMBL30177649 1.00 PTK6 (0.50) PTK6TTKAURKBLCK
SCHEMBL22124976 0.96 PTK6 (0.53) PTK6TTKAURKBLCK
Hydrochloric Acid SCHEMBL22123916 0.95 PTK6 (0.52) PTK6TTKAURKBLCK
SCHEMBL22123953 0.95 PTK6 (0.50) PTK6TTKAURKBLCK
SCHEMBL22124399 0.92 PTK6 (0.48) PTK6TTKAURKBLCK
SCHEMBL22124029 0.92 PTK6 (0.49) PTK6TTKAURKBLCK
SCHEMBL22124217 0.92 PTK6 (0.49) PTK6TTKAURKBLCK
SCHEMBL22153216 0.92 PTK6 (0.49) PTK6TTKAURKBLCK
SCHEMBL22125086 0.92 PTK6 (0.49) PTK6TTKAURKBLCK

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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