SCHEMBL26684476

SCHEMBL26684476

CN1CCC(O)(c2cc(-c3cccc(-c4nc(C(=O)O)c(Nc5cnn(C)c5)s4)c3)no2)C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAP3K14 Q99558 8/20 0.37
▸ JAK1 P23458 3/20 0.33
▸ JAK3 P52333 3/20 0.33
▸ JAK2 O60674 2/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ PIM2 Q9P1W9 1/20 0.32
▸ BTK Q06187 1/20 0.30
▸ PKD1 P98161 1/20 0.30

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
SCHEMBL26684169 0.93 MAP3K14 (0.42) MAP3K14JAK1JAK3JAK2PIM1
SCHEMBL30668038 0.93 MAP3K14 (0.42) MAP3K14JAK1JAK3JAK2PIM1
SCHEMBL30668002 0.90 JAK3 (0.36) MAP3K14JAK1JAK3JAK2BTK
SCHEMBL26684460 0.87 MAP3K14 (0.36) MAP3K14
SCHEMBL26684882 0.87 MAP3K14 (0.37) MAP3K14
SCHEMBL26684684 0.83 MAP3K14 (0.42) MAP3K14PKD1
SCHEMBL26684153 0.82 MAP3K14 (0.35) MAP3K14PKD1
SCHEMBL26684200 0.82 MAP3K14 (0.41) MAP3K14PKD1
SCHEMBL26684252 0.81 MAP3K14 (0.40) MAP3K14PKD1
SCHEMBL26684609 0.81 MAP3K14 (0.40) MAP3K14PKD1

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-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 — — WO disclosed
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