SCHEMBL22744488

SCHEMBL22744488

Cc1nc(N)c2nc(-c3cccc(C#CC4(O)C(=O)N(C)C[C@H]4C)c3)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 19/20 0.45
▸ PKD1 P98161 1/20 0.38
▸ MAP4K4 O95819 1/20 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
SCHEMBL29471436 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL31026170 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL29439438 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL22715474 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL22716310 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL22715612 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL22715476 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL22715022 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL22715021 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4
SCHEMBL29439425 1.00 MAP3K14 (0.45) MAP3K14PKD1MAP4K4

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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