SCHEMBL20908241

SCHEMBL20908241

CC(C)OC(=O)C(N)(CC(C)(C)C)c1ccc(C#Cc2cnn(C(F)F)c2)c(F)c1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ POLQ O75417 1/20 0.34
▸ ACACB O00763 1/20 0.30

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
SCHEMBL23115147 1.00 POLQ (0.34) POLQACACB
SCHEMBL29640180 1.00 POLQ (0.34) POLQACACB
SCHEMBL21112328 0.88 POLQ (0.34) POLQ
SCHEMBL21112326 0.88 POLQ (0.34) POLQ
SCHEMBL30557206 0.88 POLQ (0.34) POLQ
SCHEMBL21150408 0.80 MEN1 (0.31) —
SCHEMBL29640250 0.80 MEN1 (0.31) —
SCHEMBL23114936 0.80 MEN1 (0.31) —
SCHEMBL21150320 0.78 MKNK1 (0.34) —
SCHEMBL21148947 0.78 MEN1 (0.33) —

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-111212832-A 1-benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2020-05-29 — — CN disclosed
WO-2019075291-A1 1-BENZYL-2-IMINO-4-PHENYL-5-OXOIMIDAZOLIDINE DERIVATIVES AS HIV PROTEASE INHIBITORS GILEAD SCIENCES, INC. (US) 2019-04-18 — — WO disclosed
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