SCHEMBL31706822

SCHEMBL31706822

CC(C)(O)C1C2CCC2CN1c1ncnc2[nH]ccc12

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.51
▸ JAK1 P23458 3/20 0.50
▸ LCK P06239 1/20 0.47
▸ KIT P10721 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ DOT1L Q8TEK3 2/20 0.45

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
SCHEMBL3539476 0.77 JAK3 (0.60) JAK3JAK1LCKKITAKT2
SCHEMBL4053733 0.75 JAK3 (0.67) JAK3JAK1LCKKITAKT2
SCHEMBL3538287 0.74 JAK3 (0.59) JAK3JAK1LCKKITAKT2
SCHEMBL3959598 0.72 LCK (0.70) JAK3JAK1LCKKITAKT2
SCHEMBL3961817 0.71 JAK3 (0.69) JAK3JAK1LCKKITAKT2
SCHEMBL19596122 0.69 JAK3 (0.79) JAK3JAK1
SCHEMBL2024604 0.68 JAK3 (1.00) JAK3JAK1LCKKITAKT2
SCHEMBL29767896 0.68 JAK3 (0.49) JAK3JAK1
SCHEMBL2016053 0.67 JAK3 (1.00) JAK3JAK1LCKKITAKT2
SCHEMBL20125438 0.67 JAK3 (0.95) JAK3JAK1LCKKITAKT2

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-2025217212-A1 MAC1 INHIBITORS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2025-10-16 — — WO disclosed
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