SCHEMBL30864109

SCHEMBL30864109

CC(C)(C)OC(=O)N1CCC(O)(COCCC2CCN(C(=O)c3ccc(Cl)c(N4CCC(=O)NC4=O)c3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 12/20 0.40
▸ KMT2A Q03164 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PDK1 Q15118 1/20 0.37
▸ PDK2 Q15119 1/20 0.37
▸ PDK3 Q15120 1/20 0.37
▸ PDK4 Q16654 1/20 0.37
▸ CHEK2 O96017 1/20 0.36
▸ CRBN Q96SW2 3/20 0.36
▸ DDB1 Q16531 2/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ RIN1 Q13671 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
SCHEMBL30864097 0.91 GPR119 (0.39) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL29201756 0.91 KMT2A (0.37) KMT2A
SCHEMBL31677332 0.88 MGLL (0.34) KMT2A
SCHEMBL29892557 0.88 GPR119 (0.43) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL31024364 0.88 MEN1 (0.42) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL27124609 0.88 MEN1 (0.42) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL27137466 0.85 GPR119 (0.41) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL31677220 0.85 MEN1 (0.41) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL23123648 0.84 CNR1 (0.43) GPR119KMT2AMEN1PDK1PDK2
SCHEMBL31161308 0.84 CNR1 (0.43) GPR119KMT2AMEN1PDK1PDK2

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-117917416-A KRAS G12D degradation agent and preparation method and application thereof 上海领泰生物医药科技有限公司 2024-04-23 — — CN disclosed
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