SCHEMBL30557239

SCHEMBL30557239

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

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ EP300 Q09472 8/20 0.41
▸ JAK1 P23458 2/20 0.37
▸ CTSK P43235 2/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CREBBP Q92793 3/20 0.35
▸ RET P07949 3/20 0.34
▸ BRD4 O60885 2/20 0.34
▸ CTSC P53634 1/20 0.32
▸ LRRK2 Q5S007 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
SCHEMBL30557348 0.81 EP300 (0.39) EP300CREBBPRETBRD4
SCHEMBL30557428 0.80 EP300 (0.38) EP300CREBBPRETBRD4
SCHEMBL21150362 0.77 JAK1 (0.36) EP300JAK1CREBBPRETBRD4
SCHEMBL20907580 0.77 JAK1 (0.36) EP300JAK1CREBBPRETBRD4
SCHEMBL17806585 0.68 CREBBP (0.40) EP300CREBBPBRD4
SCHEMBL28403736 0.65 MKNK1 (0.35) EP300CREBBPRETBRD4
SCHEMBL28403738 0.65 MKNK1 (0.35) EP300CREBBPRETBRD4
SCHEMBL21150320 0.65 MKNK1 (0.34) EP300CREBBPRETBRD4
SCHEMBL23535741 0.64 CA1 (0.43) CREBBPBRD4
SCHEMBL30557222 0.63 BRD4 (0.35) EP300CREBBPRETBRD4

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-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
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