SCHEMBL22744185

SCHEMBL22744185

Cc1nc(N)c2nc(-c3cccc(C#CC4CCCN(C)C4=O)c3)ccc2n1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 4/20 0.37
▸ MAP4K4 O95819 15/20 0.36
▸ GRM5 P41594 1/20 0.35

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
SCHEMBL23870034 1.00 MAP3K14 (0.37) MAP3K14MAP4K4GRM5
SCHEMBL22744222 0.95 MAP3K14 (0.38) MAP3K14MAP4K4
SCHEMBL23869944 0.84 MAP4K4 (0.36) MAP3K14MAP4K4
SCHEMBL23870160 0.83 MAP4K4 (0.36) MAP3K14MAP4K4
SCHEMBL22744587 0.83 MAP4K4 (0.39) MAP3K14MAP4K4
SCHEMBL22744191 0.83 MAP4K4 (0.37) MAP3K14MAP4K4
SCHEMBL22744220 0.81 MAP4K4 (0.36) MAP3K14MAP4K4
SCHEMBL22744260 0.81 MAP4K4 (0.36) MAP3K14MAP4K4
SCHEMBL22744256 0.81 MAP4K4 (0.36) MAP3K14MAP4K4
SCHEMBL22715910 0.78 MAP3K14 (0.59) 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 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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