SCHEMBL22154768

SCHEMBL22154768

CNCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)N6CCNCC6)CC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.61
▸ LCK P06239 5/20 0.49
▸ AURKB Q96GD4 5/20 0.49

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
SCHEMBL22154253 0.93 PTK6 (0.53) PTK6LCKAURKB
SCHEMBL22139094 0.90 PTK6 (0.60) PTK6LCKAURKB
SCHEMBL24977862 0.88 PTK6 (0.50) PTK6LCKAURKB
SCHEMBL22123631 0.87 PTK6 (0.63) PTK6LCKAURKB
SCHEMBL30171569 0.85 PTK6 (0.59) PTK6LCKAURKB
SCHEMBL22125440 0.85 PTK6 (0.59) PTK6LCKAURKB
SCHEMBL24910546 0.85 PTK6 (0.53) PTK6LCKAURKB
SCHEMBL22124402 0.84 PTK6 (0.54) PTK6LCKAURKB
SCHEMBL22125392 0.84 PTK6 (0.54) PTK6LCKAURKB
SCHEMBL24870717 0.84 PTK6 (0.51) PTK6LCKAURKB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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