SCHEMBL31044549

SCHEMBL31044549

CC(=O)c1ccc(OC2CN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 4/20 0.44
▸ GPR119 Q8TDV5 7/20 0.42
▸ EPHX2 P34913 1/20 0.40
▸ PIK3CD O00329 2/20 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
SCHEMBL31044636 0.91 PIK3CD (0.50) USP30GPR119PIK3CD
SCHEMBL31044749 0.91 PIK3CD (0.50) USP30GPR119PIK3CD
SCHEMBL1698892 0.90 GPR119 (0.48) USP30GPR119EPHX2PIK3CD
SCHEMBL30019202 0.88 GPR119 (0.50) USP30GPR119EPHX2
SCHEMBL31044638 0.88 GPR119 (0.55) GPR119
SCHEMBL25093966 0.88 GPR119 (0.50) USP30GPR119EPHX2
SCHEMBL25093965 0.87 PARP1 (0.48) USP30GPR119EPHX2
SCHEMBL31178523 0.87 PARP1 (0.48) USP30GPR119EPHX2
SCHEMBL12523843 0.85 MEN1 (0.43) USP30GPR119EPHX2PIK3CD
SCHEMBL25193220 0.84 USP30 (0.54) USP30GPR119EPHX2PIK3CD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683611-B Novel RET inhibitors, pharmaceutical compositions thereof and uses thereof 广东东阳光药业股份有限公司 2025-02-11 — — CN disclosed
CN-111285873-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-10-15 — — CN disclosed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 — — CN disclosed
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