SCHEMBL22744587

SCHEMBL22744587

CN1CCC(C#Cc2cccc(-c3ccc4nc(CO)nc(N)c4n3)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 16/20 0.39
▸ MAP3K14 Q99558 4/20 0.38

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
SCHEMBL22744191 0.92 MAP4K4 (0.37) MAP4K4MAP3K14
SCHEMBL22744222 0.88 MAP3K14 (0.38) MAP4K4MAP3K14
SCHEMBL23870034 0.83 MAP3K14 (0.37) MAP4K4MAP3K14
SCHEMBL22744185 0.83 MAP3K14 (0.37) MAP4K4MAP3K14
SCHEMBL22715736 0.79 MAP3K14 (0.63) MAP3K14
SCHEMBL22715731 0.79 MAP3K14 (0.63) MAP3K14
SCHEMBL23870141 0.76 MKNK1 (0.41) MAP4K4
SCHEMBL23869944 0.74 MAP4K4 (0.36) MAP4K4MAP3K14
SCHEMBL23869953 0.73 MAP4K4 (0.35) MAP4K4MAP3K14
SCHEMBL23870160 0.73 MAP4K4 (0.36) MAP4K4MAP3K14

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
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-12-03 — — WO disclosed
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