SCHEMBL22744191

SCHEMBL22744191

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

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 16/20 0.37
▸ MAP3K14 Q99558 4/20 0.36

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
SCHEMBL22744587 0.92 MAP4K4 (0.39) MAP4K4MAP3K14
SCHEMBL22744222 0.88 MAP3K14 (0.38) MAP4K4MAP3K14
SCHEMBL23870034 0.83 MAP3K14 (0.37) MAP4K4MAP3K14
SCHEMBL22744185 0.83 MAP3K14 (0.37) MAP4K4MAP3K14
SCHEMBL22715992 0.78 MAP3K14 (0.62) MAP3K14
SCHEMBL22715990 0.78 MAP3K14 (0.62) MAP3K14
SCHEMBL22715597 0.77 MAP3K14 (0.55) MAP3K14
SCHEMBL29439539 0.77 MAP3K14 (0.55) MAP3K14
SCHEMBL23870141 0.76 MKNK1 (0.41) MAP4K4
SCHEMBL22744477 0.74 MAP4K4 (0.46) MAP4K4

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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