SCHEMBL31473797

SCHEMBL31473797

C#Cc1cnc(NCC)c2cnc(C3(C(N)=O)CC3)cc12

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PGK1 P00558 2/20 0.33
▸ JAK2 O60674 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ SIRT2 Q8IXJ6 1/20 0.30
▸ CTSD P07339 1/20 0.30
▸ BACE1 P56817 1/20 0.30

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
SCHEMBL31473753 0.88 NNMT (0.30) —
SCHEMBL27037294 0.88 NNMT (0.30) —
SCHEMBL31473714 0.86 BACE1 (0.33) PGK1JAK2JAK3BACE1
SCHEMBL31473790 0.85 — —
SCHEMBL31473819 0.82 JAK2 (0.32) JAK2JAK3SIRT2
SCHEMBL31473721 0.81 JAK2 (0.32) JAK2JAK3SIRT2
SCHEMBL31473614 0.79 ACACB (0.35) BACE1
SCHEMBL31473751 0.79 MAPK1 (0.35) —
SCHEMBL31473861 0.79 KDM4E (0.34) —
SCHEMBL31473597 0.76 TNF (0.34) JAK2JAK3SIRT2

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-119730846-A Kinase modulators and methods of use thereof 神经元23公司 2025-03-28 — — CN disclosed
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