SCHEMBL31601978

SCHEMBL31601978

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(N3CCN(C)CC3)nn3ccnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SLC2A1 P11166 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HRH4 Q9H3N8 4/20 0.34
▸ MCHR1 Q99705 1/20 0.34
▸ JAK2 O60674 3/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ PTK2 Q05397 2/20 0.33
▸ HRH1 P35367 3/20 0.33
▸ CTSK P43235 1/20 0.33
▸ ZAP70 P43403 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33

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
SCHEMBL31601743 0.91 PIK3CD (0.38) NR1D1HPGDNPSR1HSD17B10MAPT
SCHEMBL31601735 0.91 NR1D1 (0.35) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601880 0.84 NR1D1 (0.34) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601736 0.83 ALDH1A1 (0.34) NR1D1NPSR1L3MBTL1MEN1KMT2A
SCHEMBL31601758 0.79 NR1D1 (0.35) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601888 0.77 PIK3CD (0.43) HPGDNPSR1L3MBTL1MEN1KMT2A
SCHEMBL31601748 0.76 NR1D1 (0.34) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601795 0.74 ALDH1A1 (0.33) NR1D1HPGDNPSR1HSD17B10L3MBTL1
SCHEMBL31601801 0.74 ALDH1A1 (0.42) L3MBTL1MEN1KMT2AJAK2JAK3
SCHEMBL31601898 0.74 ABCB1 (0.33) L3MBTL1KMT2AJAK2ALDH1A1

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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