SCHEMBL22154354

SCHEMBL22154354

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6C[C@@H](OC(=O)[C@@H](N)CCCNC(=N)N)CN6)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 5/20 0.35
▸ AURKB Q96GD4 3/20 0.33
▸ LCK P06239 2/20 0.31
▸ TTK P33981 5/20 0.31
▸ SYK P43405 2/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.30

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
SCHEMBL30177557 1.00 PTK6 (0.35) PTK6AURKBLCKTTKSYK
Formic Acid SCHEMBL30178025 0.98 PTK6 (0.34) PTK6AURKBLCK
SCHEMBL30177590 0.93 PTK6 (0.36) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22154228 0.93 PTK6 (0.36) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL30177565 0.92 PTK6 (0.37) PTK6AURKBLCKTTKSYK
SCHEMBL22154256 0.92 PTK6 (0.37) PTK6AURKBLCKTTKSYK
SCHEMBL22154255 0.91 PTK6 (0.38) PTK6AURKBLCKTTKSYK
SCHEMBL22154352 0.91 PTK6 (0.38) PTK6AURKBLCKTTKSYK
SCHEMBL30177578 0.91 PTK6 (0.38) PTK6AURKBLCKTTKSYK
Formic Acid SCHEMBL30177902 0.91 PTK6 (0.35) PTK6AURKBLCKTTKMAPKAPK5

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-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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