SCHEMBL31361604

SCHEMBL31361604

O=[N+]([O-])c1cnn(C2CCNCC2O)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
JAK3 P52333 1/20 0.38
KHK P50053 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC18A3 Q16572 2/20 0.36
BRAF P15056 1/20 0.36
F2 P00734 2/20 0.35
PLAU P00749 2/20 0.35
ELANE P08246 2/20 0.35
ALDH1A1 P00352 2/20 0.34
IRAK4 Q9NWZ3 6/20 0.34
PNMT P11086 1/20 0.33

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
Tert-Butyl Formate SCHEMBL28105414 0.87 KHK (0.37) JAK2JAK1TYK2JAK3KHK
SCHEMBL16985462 0.84 L3MBTL1 (0.37) JAK2JAK1L3MBTL1BRAFF2
SCHEMBL16985304 0.83 ROCK2 (0.37) KHKL3MBTL1F2PLAUELANE
SCHEMBL16985335 0.83 ROCK2 (0.37) KHKL3MBTL1F2PLAUELANE
SCHEMBL15317792 0.83 ROCK2 (0.37) KHKL3MBTL1F2PLAUELANE
SCHEMBL31361731 0.83 L3MBTL1 (0.41) L3MBTL1SLC18A3F2PLAUELANE
Hydrochloric Acid SCHEMBL26643986 0.83 L3MBTL1 (0.36) JAK2JAK1L3MBTL1BRAFF2
Hydrochloric Acid SCHEMBL30475612 0.82 CYP1A2 (0.38) KHKL3MBTL1F2PLAUELANE
Hydrochloric Acid SCHEMBL20476166 0.82 CYP1A2 (0.38) KHKL3MBTL1F2PLAUELANE
Hydrochloric Acid SCHEMBL9951956 0.82 CYP1A2 (0.38) KHKL3MBTL1F2PLAUELANE

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-2025017116-A1 PHARMACEUTICAL COMPOUNDS HAVING ACTIVITY AS WEE1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2025-01-23 WO disclosed