SCHEMBL29980347

SCHEMBL29980347

[2H]C([2H])([2H])n1cc2c(C)c(B3OC(C)(C)C(C)(C)O3)ccc2n1

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.31
BTK Q06187 1/20 0.31
BRD4 O60885 1/20 0.30
CREBBP Q92793 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
SCHEMBL23499456 0.90 BRD4 (0.36) JAK2BTKBRD4CREBBP
SCHEMBL29993835 0.85
SCHEMBL29979440 0.82
SCHEMBL24740796 0.77 JAK2 (0.33) JAK2BTK
SCHEMBL21631597 0.75 PTPN11 (0.34)
SCHEMBL21653820 0.75 LPL (0.33) JAK2BTK
SCHEMBL21653818 0.73 UCHL1 (0.33)
SCHEMBL24740793 0.72 ALDH1A1 (0.31)
SCHEMBL1087847 0.71 JAK2 (0.36) JAK2BTKBRD4CREBBP
SCHEMBL31387338 0.71 IRAK4 (0.39)

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-2022212819-A1 INDAZOLE DERIVATIVES AS ANTAGONISTS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M4 VANDERBILT UNIVERSITY (US) 2022-10-06 WO disclosed