SCHEMBL22160194

SCHEMBL22160194

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)C6CCNC[C@@H]6O)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 18/20 0.46
▸ AURKB Q96GD4 6/20 0.43
▸ LCK P06239 6/20 0.39
▸ TTK P33981 2/20 0.37

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
SCHEMBL22124232 1.00 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL30177667 1.00 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22124234 1.00 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22125043 1.00 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL22124521 1.00 PTK6 (0.46) PTK6AURKBLCKTTK
SCHEMBL24870721 1.00 PTK6 (0.46) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL30172058 0.99 PTK6 (0.45) PTK6AURKBLCKTTK
Hydrochloric Acid SCHEMBL30171790 0.99 PTK6 (0.45) PTK6AURKBLCKTTK
SCHEMBL22154773 0.94 PTK6 (0.47) PTK6AURKBLCK
SCHEMBL22139238 0.94 PTK6 (0.47) PTK6AURKBLCK

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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