SCHEMBL31507550

SCHEMBL31507550

NC(=O)c1cc(-c2cncs2)cc(Cl)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.44
▸ CHEK2 O96017 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ MYC P01106 1/20 0.39
▸ LRRK2 Q5S007 1/20 0.38
▸ CD38 P28907 5/20 0.38
▸ SIRT6 Q8N6T7 1/20 0.37
▸ DYRK1A Q13627 3/20 0.35
▸ WNT1 P04628 2/20 0.35
▸ GSK3B P49841 2/20 0.35
▸ ACLY P53396 1/20 0.35
▸ MKNK1 Q9BUB5 1/20 0.34
▸ MKNK2 Q9HBH9 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ EEF2K O00418 1/20 0.33
▸ GRM2 Q14416 1/20 0.33

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
SCHEMBL26684326 1.00 CHEK1 (0.44) CHEK1CHEK2LMNAMYCLRRK2
SCHEMBL31507488 0.73 LMNA (0.42) LMNASIRT6GSK3BGRM2
SCHEMBL26684723 0.73 LMNA (0.42) LMNASIRT6GSK3BGRM2
SCHEMBL1786530 0.72 CD38 (0.50) CHEK1CHEK2LMNAMYCLRRK2
SCHEMBL31173737 0.69 CHEK2 (0.67) CHEK1CHEK2MYCCD38MKNK1
SCHEMBL20338978 0.69 ALDH1A1 (0.60) CHEK1CHEK2MYCLRRK2
SCHEMBL11616643 0.68 LMNA (0.59) LMNASIRT6GRM2
SCHEMBL30097621 0.68 LMNA (0.59) LMNASIRT6GRM2
SCHEMBL30929137 0.67 CHEK1 (0.56) CHEK1CHEK2MYCLRRK2CD38
SCHEMBL1685078 0.67 CHEK1 (0.56) CHEK1CHEK2MYCLRRK2CD38

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-119546602-A Pyrrolidone derivatives as inhibitors of nfkb-induced kinase 詹森药业有限公司 2025-02-28 — — CN disclosed
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