SCHEMBL31601880

SCHEMBL31601880

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(N3CCN(C)CC3)nn3c(I)cnc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.34
▸ PDE1B Q01064 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ GPR119 Q8TDV5 1/20 0.34
▸ HRH4 Q9H3N8 3/20 0.33
▸ MAPT P10636 2/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ RXFP1 Q9HBX9 1/20 0.33
▸ ME2 P23368 1/20 0.33
▸ ME1 P48163 1/20 0.33
▸ ME3 Q16798 1/20 0.33
▸ VNN1 O95497 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SLC2A1 P11166 1/20 0.32
▸ MMP1 P03956 1/20 0.32
▸ MMP9 P14780 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
SCHEMBL31601748 0.92 NR1D1 (0.34) NR1D1PDE1BGPR119ME2ME1
SCHEMBL31601736 0.89 ALDH1A1 (0.34) NR1D1PDE1BMEN1KMT2AHRH4
SCHEMBL31601978 0.84 NR1D1 (0.35) NR1D1MEN1KMT2AHRH4MAPT
SCHEMBL31601874 0.83 DGAT1 (0.40) —
SCHEMBL31602029 0.81 THRB (0.39) NR1D1PDE1BMAPTRXFP1LMNA
SCHEMBL31601795 0.81 ALDH1A1 (0.33) NR1D1PDE1BMEN1KMT2ARXFP1
SCHEMBL31601839 0.80 NR1D1 (0.35) NR1D1MAPTNPSR1L3MBTL1ALDH1A1
SCHEMBL31601832 0.80 PDE1B (0.36) NR1D1PDE1BMAPTRXFP1
SCHEMBL31601938 0.80 THRB (0.36) NR1D1PDE1BMAPTRXFP1HSD17B10
SCHEMBL31601670 0.79 ALDH1A1 (0.37) PDE1BMEN1KMT2AHRH4MAPT

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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