SCHEMBL30513301

SCHEMBL30513301

C[C@H]1[C@@H](C(=O)Nc2ncc(-c3ccccc3Cl)s2)CCN1C#N

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ UCHL1 P09936 3/20 0.48
▸ USP30 Q70CQ3 11/20 0.47
▸ LIMK1 P53667 3/20 0.46
▸ MKNK1 Q9BUB5 1/20 0.45
▸ LIMK2 P53671 1/20 0.39
▸ OTUD7B Q6GQQ9 2/20 0.38
▸ MAPK13 O15264 1/20 0.37
▸ EGFR P00533 1/20 0.37
▸ LCK P06239 1/20 0.37
▸ FYN P06241 1/20 0.37
▸ HCK P08631 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ JAK3 P52333 1/20 0.37
▸ MAPK12 P53778 1/20 0.37
▸ MAPK11 Q15759 1/20 0.37
▸ MAPK14 Q16539 1/20 0.37

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
SCHEMBL17643662 1.00 UCHL1 (0.48) UCHL1USP30LIMK1MKNK1LIMK2
SCHEMBL17631690 0.86 UCHL1 (0.62) UCHL1USP30MKNK1OTUD7B
SCHEMBL17643828 0.86 UCHL1 (0.62) UCHL1USP30MKNK1OTUD7B
SCHEMBL23403452 0.86 OTUD7B (0.54) UCHL1USP30MKNK1OTUD7B
SCHEMBL17632466 0.86 OTUD7B (0.54) UCHL1USP30MKNK1OTUD7B
SCHEMBL17643912 0.82 UCHL1 (0.52) UCHL1USP30LIMK1MKNK1OTUD7B
SCHEMBL17631677 0.82 UCHL1 (0.52) UCHL1USP30LIMK1MKNK1OTUD7B
SCHEMBL19281660 0.82 UCHL1 (0.52) UCHL1USP30LIMK1MKNK1OTUD7B
SCHEMBL29992077 0.82 UCHL1 (0.52) UCHL1USP30LIMK1MKNK1OTUD7B
SCHEMBL19281703 0.82 UCHL1 (0.52) UCHL1USP30LIMK1MKNK1OTUD7B

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-111592534-B New compounds 特殊治疗有限公司 2023-06-30 — — CN disclosed
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