SCHEMBL31601866

SCHEMBL31601866

CC#Cc1cnc2c(N(CC(=O)OC(C)(C)C)Cc3ccc(OC)cc3)cc(-c3cnc(N)nc3)nn12

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.33
▸ CDC25A P30304 1/20 0.33
▸ CDC25B P30305 1/20 0.33
▸ NPC1 O15118 2/20 0.32
▸ ALDH1A1 P00352 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
▸ PTPN1 P18031 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE10A Q9Y233 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
SCHEMBL31601924 0.93 NR1D1 (0.34) NR1D1CDC25ACDC25BNPC1ALDH1A1
SCHEMBL31601989 0.91 ALDH1A1 (0.32) NR1D1CDC25ACDC25BNPC1ALDH1A1
SCHEMBL31601945 0.90 CDC25A (0.35) CDC25ACDC25BNPC1ALDH1A1RAB9A
SCHEMBL31601786 0.88 NR1D1 (0.35) NR1D1CDC25ACDC25BNPC1ALDH1A1
SCHEMBL31601839 0.88 NR1D1 (0.35) NR1D1CDC25ACDC25BNPC1ALDH1A1
SCHEMBL31601758 0.82 NR1D1 (0.35) NR1D1CDC25ACDC25BNPC1ALDH1A1
SCHEMBL31601903 0.81 HDAC1 (0.32) LMNA
SCHEMBL31601832 0.81 PDE1B (0.36) NR1D1PDE1BPDE10A
SCHEMBL31601925 0.81 NPC1 (0.34) CDC25ACDC25BNPC1ALDH1A1RAB9A
SCHEMBL31601749 0.72 NR1D1 (0.36) NR1D1ALDH1A1L3MBTL1LMNAPDE1B

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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