SCHEMBL20924435

SCHEMBL20924435

Cc1ccc(-n2c(-c3ccc(NCCO)nc3)nc3ccncc32)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 2/20 0.60
▸ AOC3 Q16853 17/20 0.57
▸ JAK2 O60674 1/20 0.39
▸ ROCK2 O75116 1/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ TYK2 P29597 1/20 0.39
▸ CLK2 P49760 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39
▸ DYRK1A Q13627 1/20 0.39
▸ CLK4 Q9HAZ1 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
SCHEMBL18976723 0.90 AOC3 (0.68) KCNH2AOC3
SCHEMBL20924385 0.89 AOC3 (0.62) KCNH2AOC3
SCHEMBL20924324 0.88 AOC3 (0.54) KCNH2AOC3JAK2ROCK2MAP4K4
SCHEMBL20924446 0.88 AOC3 (0.59) KCNH2AOC3
SCHEMBL18976977 0.86 AOC3 (0.54) KCNH2AOC3JAK2ROCK2MAP4K4
SCHEMBL20924362 0.85 AOC3 (0.57) KCNH2AOC3
SCHEMBL20924303 0.84 AOC3 (0.57) KCNH2AOC3
SCHEMBL22997070 0.82 AOC3 (0.52) KCNH2AOC3
SCHEMBL20924390 0.81 AOC3 (0.61) KCNH2AOC3
SCHEMBL18976721 0.79 AOC3 (0.66) KCNH2AOC3

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-2970260-B1 IMIDAZO[4,5-C]PYRIDINE AND PYRROLO[2,3-C]PYRIDINE DERIVATIVES AS SSAO INHIBITORS PROXIMAGEN LLC (US) 2019-04-24 — — EP disclosed
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