SCHEMBL31601786

SCHEMBL31601786

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(-c3cnc(N)nc3)nn3c(Br)cnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.35
▸ CDC25A P30304 1/20 0.34
▸ CDC25B P30305 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ PTPN1 P18031 1/20 0.33
▸ HDAC3 O15379 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC2 Q92769 1/20 0.31
▸ HDAC10 Q969S8 1/20 0.31
▸ NCOR2 Q9Y618 1/20 0.31
▸ AXL P30530 1/20 0.31
▸ MERTK Q12866 1/20 0.31
▸ PDE1B Q01064 2/20 0.31
▸ NOS1 P29475 1/20 0.31
▸ POLB P06746 1/20 0.31

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
SCHEMBL31601839 0.91 NR1D1 (0.35) NR1D1CDC25ACDC25BALDH1A1NPC1
SCHEMBL31601866 0.88 NR1D1 (0.33) NR1D1CDC25ACDC25BALDH1A1NPC1
SCHEMBL31601924 0.86 NR1D1 (0.34) NR1D1CDC25ACDC25BALDH1A1NPC1
SCHEMBL31601758 0.85 NR1D1 (0.35) NR1D1CDC25ACDC25BALDH1A1NPC1
SCHEMBL31601989 0.85 ALDH1A1 (0.32) NR1D1CDC25ACDC25BALDH1A1NPC1
SCHEMBL31601945 0.77 CDC25A (0.35) CDC25ACDC25BALDH1A1NPC1RAB9A
SCHEMBL31601925 0.74 NPC1 (0.34) CDC25ACDC25BALDH1A1NPC1RAB9A
SCHEMBL31601749 0.73 NR1D1 (0.36) NR1D1ALDH1A1L3MBTL1PDE1BKDM4E
SCHEMBL31601748 0.72 NR1D1 (0.34) NR1D1L3MBTL1PDE1BNPSR1LMNA
SCHEMBL31601880 0.71 NR1D1 (0.34) NR1D1ALDH1A1SMN1; SMN2L3MBTL1PDE1B

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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