SCHEMBL31601753

SCHEMBL31601753

CC(C)(C)OC(=O)CN(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)nn2c(I)cnc12

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 8/20 0.34
▸ SOAT1 P35610 7/20 0.34
▸ MTOR P42345 6/20 0.33
▸ PIK3CA P42336 4/20 0.33
▸ AKT1 P31749 1/20 0.33
▸ PIK3CD O00329 6/20 0.33
▸ PIK3CG P48736 4/20 0.33
▸ PIK3C2B O00750 4/20 0.33
▸ PIK3CB P42338 3/20 0.33
▸ KMT2A Q03164 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL31601693 0.87 PIK3CD (0.33) DGAT1SOAT1MTORPIK3CAPIK3CD
SCHEMBL31601874 0.84 DGAT1 (0.40) DGAT1SOAT1MTORPIK3CDPIK3CG
SCHEMBL31601853 0.74 DGAT1 (0.40) DGAT1SOAT1MTORPIK3CDPIK3CG
SCHEMBL104174 0.74 CDK9 (0.33) —
SCHEMBL10282480 0.74 TTK (0.32) MTORPIK3CAAKT1
SCHEMBL104889 0.73 TTK (0.42) —
SCHEMBL31601880 0.72 NR1D1 (0.34) KMT2AL3MBTL1
SCHEMBL31601748 0.72 NR1D1 (0.34) L3MBTL1
SCHEMBL31602029 0.71 THRB (0.39) DGAT1SOAT1
SCHEMBL12927947 0.70 TTK (0.46) —

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-2025110815-A1 IMIDAZO [1,2-B] PYRIDAZINE-BASED NOVEL COMPOUND AS CDK INHIBITOR AND USE THEREOF 아이리드비엠에스 주식회사 2025-05-30 — — WO disclosed
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