SCHEMBL22124206

SCHEMBL22124206

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)NC2CNCC2O)CC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.47
▸ AURKB Q96GD4 5/20 0.40
▸ TTK P33981 4/20 0.39
▸ LCK P06239 4/20 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
SCHEMBL22124204 1.00 PTK6 (0.47) PTK6AURKBTTKLCK
Hydrochloric Acid SCHEMBL30171652 0.99 PTK6 (0.46) PTK6AURKBTTKLCK
SCHEMBL22125038 0.92 PTK6 (0.46) PTK6AURKBTTKLCK
SCHEMBL22125039 0.92 PTK6 (0.46) PTK6AURKBTTKLCK
SCHEMBL22123998 0.92 PTK6 (0.51) PTK6AURKBTTKLCK
Hydrochloric Acid SCHEMBL30171914 0.92 PTK6 (0.45) PTK6AURKBTTKLCK
SCHEMBL22123915 0.91 PTK6 (0.48) PTK6AURKBTTKLCK
SCHEMBL22123953 0.89 PTK6 (0.50) PTK6AURKBTTKLCK
SCHEMBL24112102 0.89 PTK6 (0.49) PTK6AURKBTTKLCK
Trifluoroacetic Acid SCHEMBL30171802 0.89 PTK6 (0.47) PTK6AURKBTTKLCK

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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