SCHEMBL31601924

SCHEMBL31601924

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(-c3cnc(N)nc3)nn3c(C#C[Si](C)(C)C)cnc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CDC25A P30304 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ PTPN1 P18031 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
SCHEMBL31601866 0.93 NR1D1 (0.33) NR1D1NPC1ALDH1A1STAT1RAB9A
SCHEMBL31601989 0.89 ALDH1A1 (0.32) NR1D1NPC1ALDH1A1STAT1RAB9A
SCHEMBL31601786 0.86 NR1D1 (0.35) NR1D1NPC1ALDH1A1STAT1RAB9A
SCHEMBL31601839 0.86 NR1D1 (0.35) NR1D1NPC1ALDH1A1STAT1RAB9A
SCHEMBL31601945 0.83 CDC25A (0.35) NPC1ALDH1A1STAT1RAB9ASMN1; SMN2
SCHEMBL31601758 0.81 NR1D1 (0.35) NR1D1NPC1ALDH1A1STAT1RAB9A
SCHEMBL31601925 0.79 NPC1 (0.34) NPC1ALDH1A1STAT1RAB9ASMN1; SMN2
SCHEMBL31601832 0.75 PDE1B (0.36) NR1D1
SCHEMBL31601903 0.75 HDAC1 (0.32) —
SCHEMBL31601720 0.73 THRB (0.36) NR1D1

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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