SCHEMBL28896428

SCHEMBL28896428

CC(C)(C)OC(=O)N1CCC(OCCN2c3cc[nH]c3C(=O)NC2S)(C(F)(F)F)C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 10/20 0.33
▸ JAK2 O60674 3/20 0.33
▸ GPR119 Q8TDV5 6/20 0.33
▸ ACACB O00763 3/20 0.32
▸ CYP11B2 P19099 1/20 0.32

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
SCHEMBL28896523 0.73 MPO (0.48) JAK1JAK2
SCHEMBL28896661 0.71 CYP4F2 (0.38) ACACBCYP11B2
SCHEMBL29211272 0.69 RORC (0.37) ACACBCYP11B2
SCHEMBL31752520 0.69 USP2 (0.39) ACACBCYP11B2
SCHEMBL28896357 0.67 USP2 (0.37) ACACBCYP11B2
SCHEMBL28896246 0.66 ACACB (0.36) GPR119ACACBCYP11B2
SCHEMBL28896077 0.66 MPO (0.51) JAK1JAK2
SCHEMBL24113337 0.65 USP2 (0.41) ACACBCYP11B2
SCHEMBL24012213 0.65 USP2 (0.41) ACACBCYP11B2
SCHEMBL29581801 0.65 USP2 (0.41) ACACBCYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115403584-B 2-thio-2, 3-dihydropyrimidine-4-one derivatives, pharmaceutical compositions, preparation methods and applications thereof 长春金赛药业有限责任公司 2024-04-02 — — CN disclosed
CN-115403584-A 2-thio-2, 3-dihydropyrimidine-4-one derivative, pharmaceutical composition, preparation method and application thereof 长春金赛药业有限责任公司 2022-11-29 — — CN disclosed
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