SCHEMBL31601989

SCHEMBL31601989

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

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.32
▸ NPC1 O15118 2/20 0.32
▸ RAB9A P51151 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ STAT1 P42224 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ NR1D1 P20393 1/20 0.32
▸ PDE10A Q9Y233 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ CRHBP P24387 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ CRHR2 Q13324 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CDC25A P30304 1/20 0.30
▸ CDC25B P30305 1/20 0.30
▸ CHRM4 P08173 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
SCHEMBL31601925 0.91 NPC1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601866 0.91 NR1D1 (0.33) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601924 0.89 NR1D1 (0.34) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601786 0.85 NR1D1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601839 0.85 NR1D1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601720 0.83 THRB (0.36) NR1D1KDM4E
SCHEMBL31601775 0.82 HDAC3 (0.31) —
SCHEMBL31601945 0.81 CDC25A (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601758 0.79 NR1D1 (0.35) ALDH1A1NPC1RAB9ASMN1; SMN2STAT1
SCHEMBL31601829 0.77 — —

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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