SCHEMBL22919044

SCHEMBL22919044

CC(C)(C)OC(=O)N1CC(Cn2cc(-c3ccc(CN)cc3)cn2)C1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.46
▸ GPR119 Q8TDV5 8/20 0.45
▸ NR1H2 P55055 1/20 0.41
▸ TBK1 Q9UHD2 4/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ IRAK1 P51617 1/20 0.39
▸ PREP P48147 1/20 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
SCHEMBL22919052 0.84 GPR119 (0.50) USP30GPR119TBK1
SCHEMBL25193692 0.80 JAK3 (0.43) USP30GPR119NR1H2NAMPT
SCHEMBL18764769 0.79 L3MBTL1 (0.45) USP30GPR119NR1H2NAMPT
SCHEMBL3597987 0.78 NR1H2 (0.43) USP30GPR119NR1H2NAMPT
SCHEMBL15416264 0.77 IRAK1 (0.58) USP30GPR119IRAK1
SCHEMBL28956672 0.75 PIK3CD (0.53) —
SCHEMBL18764929 0.75 GPR119 (0.44) USP30GPR119NR1H2NAMPT
SCHEMBL15884841 0.75 TBK1 (0.45) USP30TBK1IRAK1
SCHEMBL31546905 0.75 NR1H2 (0.40) USP30GPR119NR1H2NAMPT
SCHEMBL3599876 0.72 NR1H2 (0.38) USP30GPR119NR1H2NAMPT

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-2021013864-A1 4-(IMIDAZO[1,2-A]PYRIDIN-3-YL) -PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2021-01-28 — — WO disclosed
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