SCHEMBL31000170

SCHEMBL31000170

CC(C)(C)OC(=O)Nc1ccc(C(C)(O)C(F)(F)F)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ RAB9A P51151 3/20 0.42
▸ PTGS1 P23219 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ GSK3B P49841 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ DEGS1 O15121 2/20 0.40
▸ GCK P35557 1/20 0.40
▸ GCKR Q14397 1/20 0.40
▸ ATR Q13535 1/20 0.40
▸ ABCC9 O60706 1/20 0.39
▸ ABCC8 Q09428 1/20 0.39
▸ KCNJ11 Q14654 1/20 0.39
▸ KCNJ8 Q15842 1/20 0.39
▸ NPY5R Q15761 1/20 0.39
▸ NAMPT P43490 1/20 0.39
▸ GRIN2B Q13224 1/20 0.39
▸ MAPT P10636 1/20 0.39

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
SCHEMBL24738932 0.87 GAA (0.45) GAAPOLBRAB9APTGS1NPC1
SCHEMBL30828305 0.87 RAB9A (0.55) GAAPOLBRAB9APTGS1NPC1
SCHEMBL282866 0.84 DEGS1 (0.51) GAAPOLBRAB9APTGS1NPC1
SCHEMBL31706891 0.83 GAA (0.44) GAAPOLBRAB9APTGS1NPC1
SCHEMBL23582651 0.82 GSK3B (0.43) GAAPOLBRAB9APTGS1NPC1
SCHEMBL10044267 0.82 SYK (0.40) GAAPOLBRAB9ANPC1GSK3B
SCHEMBL23582524 0.80 HDAC1 (0.41) GAAPOLBRAB9APTGS1NPC1
SCHEMBL31357577 0.80 HDAC1 (0.41) GAAPOLBRAB9APTGS1NPC1
SCHEMBL31705856 0.79 GAA (0.55) GAAPOLBRAB9APTGS1NPC1
SCHEMBL4599319 0.79 PDK1 (0.49) NAMPTMAPT

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-4658659-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF Children's Hospital Medical Center (US) 2025-12-10 — — EP disclosed
WO-2024163764-A2 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2024-08-08 — — WO disclosed
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