SCHEMBL30999897

SCHEMBL30999897

CC(C)(C)OC(=O)NC1c2cccc(C#N)c2CC12CCN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 5/20 0.41
▸ TSHR P16473 2/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ NAMPT P43490 4/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ JAK2 O60674 3/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ EGLN2 Q96KS0 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ NOTCH1 P46531 1/20 0.36

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
SCHEMBL23024480 1.00 GPR119 (0.41) GPR119TSHRALOX15NAMPTIDO1
SCHEMBL23024159 0.86 ROCK2 (0.42) GPR119TSHRALOX15NAMPTIDO1
SCHEMBL30568087 0.85 GPR119 (0.39) GPR119TSHRALOX15NAMPTJAK2
SCHEMBL23046133 0.82 TSHR (0.44) GPR119TSHRALOX15NAMPTIDO1
SCHEMBL29890956 0.82 TSHR (0.44) GPR119TSHRALOX15NAMPTIDO1
SCHEMBL21383837 0.82 TSHR (0.44) GPR119TSHRALOX15NAMPTIDO1
SCHEMBL23046137 0.77 HDAC2 (0.41) GPR119NAMPT
SCHEMBL21383778 0.74 USP30 (0.43) GPR119NAMPTIDO1
SCHEMBL23046306 0.74 HDAC2 (0.41) GPR119NAMPT
SCHEMBL30529609 0.74 USP30 (0.43) GPR119NAMPTIDO1

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-3768668-B1 SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS INC (US) 2024-08-28 — — EP disclosed
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