SCHEMBL31598769

SCHEMBL31598769

COc1cc(Nc2nccc(N3CCCn4nc(C#CC(C)(O)c5nccs5)cc43)n2)cc(OC)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 1.00
PKD2 Q13563 1/20 1.00

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
SCHEMBL31598806 0.94 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598766 0.90 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598789 0.89 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598777 0.89 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598767 0.88 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598801 0.87 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598819 0.85 MAP3K14 (1.00) MAP3K14PKD2
SCHEMBL31598799 0.85 MAP3K14 (1.00) MAP3K14
SCHEMBL31598781 0.84 MAP3K14 (1.00) MAP3K14
SCHEMBL31598817 0.84 MAP3K14 (1.00) MAP3K14

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-120058708-A Alkynyl alcohol derivative and medical application thereof 中国药科大学 2025-05-30 CN claimed
CN-120058708-A Alkynyl alcohol derivative and medical application thereof 中国药科大学 2025-05-30 CN disclosed