SCHEMBL30449462

SCHEMBL30449462

COc1cc(C(N)=O)nc(-c2cccc(C#C[C@]3(O)CCN(C)C3=O)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 20/20 1.00
PKD1 P98161 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
SCHEMBL16505395 1.00 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16505393 1.00 MAP3K14 (1.00) MAP3K14PKD1
SCHEMBL16505565 0.92 MAP3K14 (0.85) MAP3K14PKD1
SCHEMBL16505359 0.91 MAP3K14 (0.84) MAP3K14PKD1
SCHEMBL16505429 0.91 MAP3K14 (0.83) MAP3K14PKD1
SCHEMBL16505635 0.90 MAP3K14 (0.81) MAP3K14PKD1
SCHEMBL16505559 0.89 MAP3K14 (0.84) MAP3K14PKD1
SCHEMBL16505759 0.88 MAP3K14 (0.82) MAP3K14PKD1
SCHEMBL16505474 0.88 MAP3K14 (0.82) MAP3K14PKD1
SCHEMBL16505482 0.88 MAP3K14 (1.00) MAP3K14PKD1

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-117858727-A Composition for inhibiting transdifferentiation of mature hepatocytes 国立大学法人大阪大学 2024-04-09 CN disclosed
WO-2023101457-A1 COMPOSITION FOR PREVENTING OR TREATING BILIARY TRACT CANCER 연세대학교 산학협력단 2023-06-08 WO disclosed