SCHEMBL22124170

SCHEMBL22124170

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CC[C@H]2CNC[C@@H]2C1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.47
▸ TTK P33981 6/20 0.42
▸ AURKB Q96GD4 6/20 0.40
▸ LCK P06239 5/20 0.40
▸ MAPKAPK5 Q8IW41 2/20 0.39

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
SCHEMBL30177676 1.00 PTK6 (0.47) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL24870700 0.94 PTK6 (0.50) PTK6TTKAURKBLCKMAPKAPK5
Hydrochloric Acid SCHEMBL30171729 0.94 PTK6 (0.49) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL30177679 0.91 PTK6 (0.48) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123953 0.89 PTK6 (0.50) PTK6TTKAURKBLCK
SCHEMBL22123939 0.88 PTK6 (0.47) PTK6TTKAURKBLCK
SCHEMBL22124987 0.88 PTK6 (0.48) PTK6TTKAURKBLCKMAPKAPK5
SCHEMBL22123379 0.88 PTK6 (0.61) PTK6TTKAURKBLCK
SCHEMBL30183757 0.88 PTK6 (0.61) PTK6TTKAURKBLCK
SCHEMBL22123998 0.88 PTK6 (0.51) 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 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 disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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