SCHEMBL24910493

SCHEMBL24910493

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NC[C@@H]5CCOC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 16/20 0.49
▸ MAPKAPK5 Q8IW41 1/20 0.46
▸ ALDH2 P05091 1/20 0.39
▸ AXL P30530 1/20 0.39
▸ PTK6 Q13882 1/20 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
SCHEMBL30171555 1.00 TTK (0.49) TTKMAPKAPK5ALDH2AXLPTK6
SCHEMBL22139112 1.00 TTK (0.49) TTKMAPKAPK5ALDH2AXLPTK6
SCHEMBL30172021 0.96 TTK (0.48) TTKMAPKAPK5ALDH2PTK6
SCHEMBL24870705 0.96 TTK (0.48) TTKMAPKAPK5ALDH2PTK6
SCHEMBL30171640 0.91 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22124284 0.91 TTK (0.49) TTKMAPKAPK5AXL
SCHEMBL22124379 0.90 TTK (0.49) TTKMAPKAPK5PTK6
SCHEMBL30171837 0.90 TTK (0.49) TTKMAPKAPK5PTK6
SCHEMBL24871004 0.90 MAPKAPK5 (0.45) TTKMAPKAPK5PTK6
SCHEMBL30172097 0.90 MAPKAPK5 (0.45) TTKMAPKAPK5PTK6

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
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
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