SCHEMBL31407232

SCHEMBL31407232

CC(C)(C)OC(=O)NC(CO)c1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 9/20 0.46
ROCK1 Q13464 7/20 0.46
MAPK1 P28482 3/20 0.46
RPS6KA5 O75582 2/20 0.46
MAP4K4 O95819 2/20 0.46
PRKACA P17612 2/20 0.46
RPS6KB1 P23443 2/20 0.46
AKT1 P31749 2/20 0.46
AKT2 P31751 2/20 0.46
GSK3A P49840 2/20 0.46
GSK3B P49841 2/20 0.46
PRKX P51817 2/20 0.46
NEK4 P51957 2/20 0.46
PRKCD Q05655 2/20 0.46
PRKG2 Q13237 2/20 0.46
PRKG1 Q13976 2/20 0.46
PKN2 Q16513 2/20 0.46
CDC42BPA Q5VT25 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
SGK2 Q9HBY8 2/20 0.46

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
SCHEMBL646089 0.86 AAK1 (0.44) AAK1CYP17A1CTSSCTSKALDH1A1
SCHEMBL127326 0.85 RIPK1 (0.60) RIPK1CTSSCTSK
SCHEMBL2481921 0.85 RIPK1 (0.60) RIPK1CTSSCTSK
SCHEMBL3349953 0.85 RIPK1 (0.60) RIPK1CTSSCTSK
SCHEMBL3372679 0.85 AAK1 (0.43) AAK1CYP17A1CTSSCTSKALDH1A1
SCHEMBL31407217 0.85 AAK1 (0.46) AAK1CYP17A1CTSSCTSKALDH1A1
SCHEMBL28995700 0.84 PPARG (0.45) RIPK1CTSSCTSKALDH1A1
SCHEMBL2011973 0.84 CTSS (0.47) RIPK1CTSSCTSK
SCHEMBL1553363 0.84 CTSS (0.47) RIPK1CTSSCTSK
SCHEMBL17619268 0.84 PPARG (0.45) RIPK1CTSSCTSKALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4743455-A1 SARM1 INHIBITORS F. Hoffmann-La Roche AG (CH) 2026-05-20 EP disclosed
WO-2025012296-A1 SARM1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2025-01-16 WO disclosed