SCHEMBL31601925

SCHEMBL31601925

COc1ccc(CN(CC(=O)O)c2cc(-c3cnc(N)nc3)nn3c(C#CC4CC4)cnc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ STAT1 P42224 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE10A Q9Y233 1/20 0.33
▸ PTPN1 P18031 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ CHRM4 P08173 1/20 0.32
▸ HDAC8 Q9BY41 2/20 0.32
▸ NOS1 P29475 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ PDE1B Q01064 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
SCHEMBL31601989 0.91 ALDH1A1 (0.32) NPC1ALDH1A1RAB9ASMN1; SMN2STAT1
SCHEMBL31601945 0.90 CDC25A (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2STAT1
SCHEMBL31601775 0.85 HDAC3 (0.31) —
SCHEMBL31601923 0.81 THRB (0.38) PDE1B
SCHEMBL31601866 0.81 NR1D1 (0.33) NPC1ALDH1A1RAB9ASMN1; SMN2STAT1
SCHEMBL31601829 0.80 — —
SCHEMBL31601924 0.79 NR1D1 (0.34) NPC1ALDH1A1RAB9ASMN1; SMN2STAT1
SCHEMBL31601903 0.76 HDAC1 (0.32) LMNA
SCHEMBL31601786 0.74 NR1D1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2STAT1
SCHEMBL31601839 0.74 NR1D1 (0.35) NPC1ALDH1A1RAB9ASMN1; SMN2STAT1

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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