SCHEMBL31044636

SCHEMBL31044636

CC(=O)c1ccc(O[C@@H]2CCN(C(=O)OC(C)(C)C)C2)cn1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 8/20 0.50
▸ USP30 Q70CQ3 3/20 0.48
▸ GPR119 Q8TDV5 5/20 0.48
▸ PIK3CA P42336 2/20 0.46
▸ PIK3CB P42338 2/20 0.46
▸ PIK3CG P48736 2/20 0.46

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
SCHEMBL31044749 1.00 PIK3CD (0.50) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL31044638 0.93 GPR119 (0.55) GPR119
SCHEMBL30234630 0.91 GPR119 (0.52) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL1698614 0.91 GPR119 (0.52) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL25604586 0.91 GPR119 (0.52) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL31044549 0.91 USP30 (0.44) PIK3CDUSP30GPR119
SCHEMBL25282448 0.89 GPR119 (0.54) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL29212746 0.89 GPR119 (0.54) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL25191966 0.89 GPR119 (0.54) PIK3CDUSP30GPR119PIK3CAPIK3CB
SCHEMBL31552861 0.89 GPR119 (0.54) PIK3CDUSP30GPR119PIK3CAPIK3CB

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
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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