SCHEMBL30718299

SCHEMBL30718299

CN1CCC[C@@H](N(C)c2nnc(Cl)c3cc[nH]c23)C1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 12/20 0.40
JAK3 P52333 8/20 0.40
BTK Q06187 3/20 0.39
JAK2 O60674 12/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL30718319 0.91 JAK1 (0.40) JAK1JAK3BTKJAK2SIGMAR1
SCHEMBL27297561 0.81 JAK1 (0.40) JAK1JAK3BTKJAK2
SCHEMBL30718308 0.81 JAK1 (0.40) JAK1JAK3BTKJAK2
SCHEMBL27289337 0.81 JAK1 (0.41) JAK1JAK3JAK2
SCHEMBL24840031 0.81 SIGMAR1 (0.40) JAK3JAK2SIGMAR1
SCHEMBL29189103 0.81 SIGMAR1 (0.40) JAK3JAK2SIGMAR1
SCHEMBL31359742 0.81 SIGMAR1 (0.40) JAK3JAK2SIGMAR1
SCHEMBL30718307 0.79 JAK1 (0.41) JAK1JAK3JAK2
SCHEMBL30718309 0.79 JAK1 (0.41) JAK1JAK3JAK2
SCHEMBL30718302 0.75 JAK1 (0.38) JAK1JAK3BTKJAK2

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-2024006559-A1 MODULATORS OF NLRP3 INFLAMMASOME AND RELATED PRODUCTS AND METHODS Neumora Therapeutics, Inc. (US) 2024-01-04 WO disclosed