SCHEMBL28403738

SCHEMBL28403738

CC(C)CC(N)(C(=O)OC(C)C)c1ccc(-c2cnn(C(F)F)c2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.35
▸ MKNK2 Q9HBH9 1/20 0.35
▸ BRD4 O60885 1/20 0.34
▸ CREBBP Q92793 1/20 0.34
▸ EP300 Q09472 5/20 0.33
▸ RET P07949 1/20 0.33
▸ CD274 Q9NZQ7 1/20 0.33
▸ ACHE P22303 4/20 0.33
▸ GPER1 Q99527 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ PTPN1 P18031 1/20 0.31
▸ SYK P43405 1/20 0.31

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
SCHEMBL28403736 1.00 MKNK1 (0.35) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21150320 0.88 MKNK1 (0.34) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21150362 0.88 JAK1 (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL20907580 0.88 JAK1 (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL20908223 0.87 MKNK1 (0.32) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL29640359 0.87 MKNK1 (0.32) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21112969 0.87 CREBBP (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21112970 0.87 CREBBP (0.36) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL30557222 0.87 BRD4 (0.35) MKNK1MKNK2BRD4CREBBPEP300
SCHEMBL21112675 0.74 EP300 (0.33) MKNK1MKNK2BRD4CREBBPEP300

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-B 1-Benzyl-2-imino-4-phenyl-5-oxoimidazolidine derivatives as HIV protease inhibitors 吉利德科学公司 2023-09-15 — — CN disclosed
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
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