SCHEMBL30718178

SCHEMBL30718178

CC(C)(C)OC(=O)n1cc(-c2ccnc(N3CCNCC3)n2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ MARK3 P27448 1/20 0.44
▸ MAP4K2 Q12851 1/20 0.44
▸ CAMK2B Q13554 1/20 0.44
▸ PIM3 Q86V86 1/20 0.44
▸ PIM2 Q9P1W9 1/20 0.44
▸ ACHE P22303 5/20 0.43
▸ BRD4 O60885 1/20 0.43
▸ CREBBP Q92793 1/20 0.43
▸ DYRK1A Q13627 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ MEN1 O00255 5/20 0.40
▸ KMT2A Q03164 5/20 0.40
▸ CYP1A2 P05177 4/20 0.40
▸ CYP3A4 P08684 4/20 0.40
▸ HIF1A Q16665 4/20 0.40
▸ CYP2C9 P11712 2/20 0.40
▸ CYP2C19 P33261 2/20 0.40
▸ CHRNA7 P36544 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39

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
SCHEMBL27029451 1.00 PIM1 (0.44) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL27029449 0.90 ACHE (0.54) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29931578 0.85 DYRK1A (0.50) ACHEDYRK1AMEN1KMT2ACYP1A2
SCHEMBL29931597 0.84 ACHE (0.55) ACHEDYRK1ACHRNA7GPR119MAPT
SCHEMBL28553930 0.80 DYRK1A (0.48) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL30718171 0.78 NR1H2 (0.48) ACHE
SCHEMBL30076963 0.73 PIM1 (0.49) PIM1MARK3MAP4K2CAMK2BPIM3
SCHEMBL29931570 0.70 ACHE (0.54) ACHECHRNA7GPR119MAPTLMNA
SCHEMBL27029483 0.70 ACHE (0.54) ACHECHRNA7GPR119MAPTLMNA
SCHEMBL13051131 0.70 DYRK1A (0.42) PIM1MARK3MAP4K2CAMK2BPIM3

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-117157284-A CTLA-4 small molecule degradation agent and application thereof 苏州国匡医药科技有限公司 2023-12-01 — — CN disclosed
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