SCHEMBL31601898

SCHEMBL31601898

CC(C)(C)OC(=O)CN(Cc1ccccc1)c1cc(N2C3CCC2COC3)nn2ccnc12

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ PIK3CA P42336 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ JAK2 O60674 1/20 0.31
▸ JAK1 P23458 1/20 0.31
▸ HTR2C P28335 1/20 0.31
▸ SLC6A4 P31645 1/20 0.31
▸ RAF1 P04049 1/20 0.31
▸ PDE5A O76074 1/20 0.30
▸ HSD11B1 P28845 1/20 0.30

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
SCHEMBL31601824 0.84 ABCB1 (0.31) ABCB1L3MBTL1KMT2APIK3CAMTOR
SCHEMBL31601915 0.83 CETP (0.31) ABCB1L3MBTL1ALDH1A1PIK3CAMTOR
SCHEMBL31601801 0.80 ALDH1A1 (0.42) ABCB1L3MBTL1KMT2AALDH1A1APOBEC3A
SCHEMBL31601743 0.76 PIK3CD (0.38) ALDH1A1PIK3CARAF1
SCHEMBL31601978 0.74 NR1D1 (0.35) L3MBTL1KMT2AALDH1A1JAK2
SCHEMBL31601735 0.73 NR1D1 (0.35) L3MBTL1ALDH1A1
SCHEMBL31601853 0.69 DGAT1 (0.40) MTOR
SCHEMBL31601758 0.69 NR1D1 (0.35) L3MBTL1KMT2AALDH1A1
SCHEMBL31601874 0.69 DGAT1 (0.40) MTOR
SCHEMBL20506830 0.67 AKT1 (0.46) ABCB1L3MBTL1KMT2A

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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