SCHEMBL31097402

SCHEMBL31097402

CN1CCN([C@@H]2CCCN(c3ncc(C#N)c4sc(Br)cc34)C2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.37
▸ LCK P06239 14/20 0.37
▸ BTK Q06187 5/20 0.37
▸ EGFR P00533 7/20 0.34
▸ CHEK1 O14757 1/20 0.33
▸ PDE7A Q13946 1/20 0.33
▸ JAK2 O60674 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
SCHEMBL31097391 0.85 CHEK1 (0.32) CHEK1
SCHEMBL24833595 0.76 JAK3 (0.43) JAK3LCKBTKEGFR
SCHEMBL31097397 0.75 RET (0.44) JAK3LCKBTKEGFRCHEK1
SCHEMBL24833599 0.75 JAK3 (0.42) JAK3LCKBTKEGFR
SCHEMBL30160648 0.75 JAK3 (0.42) JAK3LCKBTKEGFR
SCHEMBL23460213 0.73 JAK3 (0.40) JAK3LCKBTKEGFR
SCHEMBL24833597 0.72 JAK3 (0.40) JAK3LCKBTKJAK2
SCHEMBL24834042 0.71 KDM4E (0.39) JAK3LCKBTKEGFR
SCHEMBL4342337 0.70 CHEK1 (0.48) CHEK1
SCHEMBL24834051 0.70 KDM4E (0.38) JAK3LCKBTKEGFRJAK2

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
Send feedback