SCHEMBL31473714

SCHEMBL31473714

CCNc1ncc(C#C[Si](C)(C)C)c2cc(C3(C(N)=O)CC3)ncc12

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.33
▸ PGK1 P00558 2/20 0.32
▸ JAK2 O60674 1/20 0.30
▸ JAK3 P52333 1/20 0.30
▸ MAP4K1 Q92918 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
SCHEMBL31473656 0.89 BACE1 (0.31) BACE1
SCHEMBL31473797 0.86 PGK1 (0.33) BACE1PGK1JAK2JAK3
SCHEMBL31473909 0.86 — —
SCHEMBL31473614 0.81 ACACB (0.35) BACE1
SCHEMBL31473819 0.80 JAK2 (0.32) JAK2JAK3MAP4K1
SCHEMBL31473721 0.79 JAK2 (0.32) JAK2JAK3MAP4K1
SCHEMBL30699067 0.76 MAP4K1 (0.43) MAP4K1
SCHEMBL27038036 0.76 MAP4K1 (0.43) MAP4K1
SCHEMBL31473751 0.76 MAPK1 (0.35) MAP4K1
SCHEMBL31473861 0.76 KDM4E (0.34) MAP4K1

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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