SCHEMBL31097391

SCHEMBL31097391

Cn1ccn([C@@H]2CCCN(c3ncc(C#N)c4sc(Br)cc34)C2)c1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 1/20 0.32
▸ DPP4 P27487 2/20 0.31
▸ ENPP1 P22413 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
SCHEMBL31097402 0.85 JAK3 (0.37) CHEK1
SCHEMBL4342337 0.70 CHEK1 (0.48) CHEK1
SCHEMBL3070658 0.64 CHEK1 (0.46) CHEK1
SCHEMBL31052385 0.63 LCK (0.35) —
SCHEMBL31052405 0.63 LCK (0.35) —
SCHEMBL4353898 0.63 GSK3B (0.41) CHEK1
SCHEMBL14543510 0.62 CHEK1 (0.48) CHEK1
SCHEMBL4341481 0.62 PIK3CD (0.41) CHEK1
SCHEMBL14373172 0.62 LRRK2 (0.34) —
SCHEMBL31039919 0.62 JAK3 (0.41) —

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-118580252-A PROTAC compound, pharmaceutical composition containing same, and preparation method and application thereof 百极弘烨(南通)医药科技有限公司 2024-09-03 — — CN disclosed
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