SCHEMBL31097397

SCHEMBL31097397

CN1CCN([C@@H]2CCCN(c3ncc(C#N)c4sc(-c5ccc(C6CCN(C(=O)OC(C)(C)C)CC6)cc5)cc34)C2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ RET P07949 2/20 0.44
▸ JAK3 P52333 10/20 0.40
▸ LCK P06239 7/20 0.40
▸ BTK Q06187 3/20 0.40
▸ CHEK1 O14757 1/20 0.40
▸ GPR119 Q8TDV5 5/20 0.39
▸ EGFR P00533 2/20 0.37
▸ NR1H2 P55055 1/20 0.36
▸ NR1H3 Q13133 1/20 0.36
▸ JAK2 O60674 1/20 0.36
▸ PTK2 Q05397 1/20 0.36
▸ SYK P43405 1/20 0.35

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
SCHEMBL31097395 0.90 CHEK1 (0.51) RETJAK3LCKBTKCHEK1
SCHEMBL31097402 0.75 JAK3 (0.37) JAK3LCKBTKCHEK1EGFR
SCHEMBL21946793 0.74 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL29931224 0.74 JAK3 (0.71) JAK3LCKBTKEGFR
SCHEMBL21855409 0.69 JAK3 (0.65) JAK3LCKBTKEGFR
SCHEMBL29872120 0.69 JAK3 (0.78) JAK3LCKBTKEGFR
SCHEMBL21855411 0.69 JAK3 (0.78) JAK3LCKBTKEGFR
SCHEMBL4350029 0.68 PIK3CD (0.49) CHEK1GPR119
SCHEMBL25603497 0.68 JAK3 (0.62) JAK3LCKBTKEGFR
SCHEMBL25606266 0.67 JAK3 (0.61) JAK3LCKBTKEGFR

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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