SCHEMBL30718306

SCHEMBL30718306

CN1CCC[C@@H](N(C)c2nnc(-c3ccccc3O)c3[nH]ccc23)C1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 8/20 0.38
JAK3 P52333 7/20 0.38
JAK2 O60674 6/20 0.36
BTK Q06187 2/20 0.35
CHEK2 O96017 2/20 0.35
IKBKB O14920 1/20 0.35
IL1B P01584 1/20 0.34
NLRP3 Q96P20 1/20 0.34
CHRM1 P11229 1/20 0.34

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
SCHEMBL30718302 1.00 JAK1 (0.38) JAK1JAK3JAK2BTKCHEK2
SCHEMBL27297561 0.92 JAK1 (0.40) JAK1JAK3JAK2BTKCHEK2
SCHEMBL30718308 0.92 JAK1 (0.40) JAK1JAK3JAK2BTKCHEK2
SCHEMBL27289322 0.82 NLRP3 (0.38) CHEK2IKBKBIL1BNLRP3CHRM1
SCHEMBL30718319 0.79 JAK1 (0.40) JAK1JAK3JAK2BTK
SCHEMBL27290019 0.79 JAK2 (0.41) JAK1JAK3JAK2IL1BNLRP3
SCHEMBL27297437 0.78 NLRP3 (0.55) CHEK2IL1BNLRP3
SCHEMBL26772151 0.77 CHRM1 (0.47) IKBKBIL1BNLRP3CHRM1
SCHEMBL24840029 0.77 NLRP3 (0.51) IL1BNLRP3
SCHEMBL24840762 0.77 NLRP3 (0.51) IL1BNLRP3

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