SCHEMBL31706138

SCHEMBL31706138

C[C@H]1CCCN(c2ncnc3[nH]ccc23)[C@H]1CO

nearest known ligand 0.70

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.70
▸ LCK P06239 1/20 0.55
▸ JAK1 P23458 2/20 0.55
▸ DOT1L Q8TEK3 2/20 0.52
▸ AKT2 P31751 2/20 0.51
▸ GSK3B P49841 2/20 0.51
▸ KIT P10721 1/20 0.50
▸ HTR2C P28335 1/20 0.49
▸ JAK2 O60674 1/20 0.47

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
SCHEMBL6743217 0.84 JAK3 (0.67) JAK3LCKJAK1DOT1LAKT2
SCHEMBL2024604 0.82 JAK3 (1.00) JAK3LCKJAK1DOT1LAKT2
SCHEMBL6742185 0.81 JAK3 (0.67) JAK3LCKJAK1DOT1LAKT2
SCHEMBL4053733 0.80 JAK3 (0.67) JAK3LCKJAK1DOT1LAKT2
SCHEMBL2016053 0.79 JAK3 (1.00) JAK3LCKJAK1DOT1LAKT2
SCHEMBL3961208 0.79 JAK3 (0.66) JAK3LCKJAK1DOT1LAKT2
SCHEMBL31706717 0.77 JAK3 (0.67) JAK3LCKJAK1DOT1LAKT2
SCHEMBL28887147 0.77 JAK3 (0.67) JAK3LCKJAK1DOT1LAKT2
SCHEMBL28068350 0.77 JAK3 (0.67) JAK3LCKJAK1DOT1LAKT2
SCHEMBL3956020 0.76 JAK3 (0.65) JAK3LCKJAK1DOT1LAKT2

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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