SCHEMBL22744200

SCHEMBL22744200

CN1CC[C@H](C#Cc2cccc(-c3cc(C4CCOCC4)c4ncnc(N)c4n3)c2)C1=O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 11/20 0.36
▸ MAP3K14 Q99558 2/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ ADK P55263 1/20 0.32
▸ DHFR P00374 1/20 0.32

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
SCHEMBL22744160 0.85 GRM5 (0.35) MAP4K4MAP3K14GRM5
SCHEMBL22744231 0.82 MAP3K14 (0.55) MAP3K14
SCHEMBL22715280 0.82 MAP3K14 (0.55) MAP3K14
SCHEMBL29439411 0.82 MAP3K14 (0.55) MAP3K14
SCHEMBL22715283 0.82 MAP3K14 (0.55) MAP3K14
SCHEMBL22744244 0.79 MAP4K4 (0.43) MAP4K4
SCHEMBL23869894 0.79 GRM5 (0.34) MAP4K4MAP3K14GRM5
SCHEMBL22715064 0.76 MAP3K14 (0.56) MAP3K14
SCHEMBL22715068 0.76 MAP3K14 (0.56) MAP3K14
SCHEMBL22716283 0.75 MAP3K14 (0.58) 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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