SCHEMBL29284660

SCHEMBL29284660

CSC(C)C(C)n1ncc(C(=O)N(CC2CC2)c2ccnnc2)c1C

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PDK1 Q15118 2/20 0.32
▸ PDK2 Q15119 1/20 0.31
▸ PDK3 Q15120 1/20 0.31
▸ PDK4 Q16654 1/20 0.31

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
SCHEMBL31256684 0.90 OXTR (0.32) PDK1PDK2PDK3PDK4
SCHEMBL29284667 0.88 OXTR (0.39) —
SCHEMBL29284669 0.86 OXTR (0.33) —
SCHEMBL29284671 0.85 — —
SCHEMBL29284676 0.85 OXTR (0.32) —
SCHEMBL29284687 0.85 — —
SCHEMBL29284663 0.84 OXTR (0.44) —
SCHEMBL29284677 0.83 KMT2A (0.37) —
SCHEMBL29284654 0.82 — —
SCHEMBL29284681 0.79 — —

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-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 — — CN claimed
CN-118206533-A N-pyridazine pyrazole amide compounds 湖南化工研究院有限公司 2024-06-18 — — CN disclosed
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