SCHEMBL30436871

SCHEMBL30436871

Cn1nccc1-c1cnc2c(C(N)=O)cn(C)c2c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 5/20 0.51
▸ JAK1 P23458 4/20 0.51
▸ CYP11B2 P19099 1/20 0.43
▸ MTOR P42345 1/20 0.39
▸ ACACB O00763 1/20 0.39
▸ ACACA Q13085 1/20 0.39
▸ PARP1 P09874 2/20 0.38
▸ TLR8 Q9NR97 1/20 0.37
▸ ABL1 P00519 1/20 0.37
▸ FGFR4 P22455 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ CLK4 Q9HAZ1 1/20 0.36
▸ DYRK1B Q9Y463 1/20 0.36

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
SCHEMBL30437026 0.78 MKNK1 (0.50) CYP11B2MAPK1
SCHEMBL30436768 0.78 MKNK1 (0.52) JAK3JAK1CYP11B2ACACBACACA
SCHEMBL30436844 0.77 NR4A2 (0.49) ACACBACACAPARP1
SCHEMBL18030021 0.74 JAK3 (0.63) JAK3JAK1
SCHEMBL30436722 0.73 ALK (0.41) JAK3JAK1ACACBACACAPARP1
SCHEMBL30437354 0.72 GRIN2B (0.46) ACACBACACAPARP1FGFR4
SCHEMBL3344435 0.70 PKMYT1 (0.47) JAK3JAK1MTORTLR8ABL1
SCHEMBL21955797 0.69 PARP1 (0.51) PARP1
SCHEMBL30437428 0.69 GRIN1 (0.46) JAK3JAK1PARP1FGFR4
SCHEMBL16459598 0.68 JAK3 (1.00) JAK3JAK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116102549-B 5-Aldehyde heterocyclic amide compound and application thereof 暨南大学 2025-02-11 — — CN claimed
CN-116102549-A 5-aldehyde heterocyclic amide compound and application thereof 暨南大学 2023-05-12 — — CN claimed
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