SCHEMBL31601772

SCHEMBL31601772

COc1ccc(CN(CC(=O)O)c2cc(N3CCOCC3)nn3c(C4CC4)cnc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.41
▸ PDE1B Q01064 10/20 0.40
▸ DGAT1 O75907 2/20 0.39
▸ SOAT1 P35610 2/20 0.39
▸ PDE2A O00408 2/20 0.39
▸ MAPT P10636 1/20 0.38
▸ NAPEPLD Q6IQ20 1/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ WNT3A P56704 1/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL31602029 0.90 THRB (0.39) THRBPDE1BDGAT1SOAT1PDE2A
SCHEMBL31601778 0.86 ALDH1A1 (0.40) THRBPDE1BDGAT1SOAT1MAPT
SCHEMBL31601923 0.86 THRB (0.38) THRBPDE1BDGAT1SOAT1MAPT
SCHEMBL31601789 0.86 DGAT1 (0.40) THRBPDE1BDGAT1SOAT1MAPT
SCHEMBL31601796 0.85 THRB (0.38) THRBPDE1BDGAT1SOAT1MAPT
SCHEMBL31601961 0.83 THRB (0.36) THRBPDE1BDGAT1SOAT1PDE2A
SCHEMBL31601920 0.78 DGAT1 (0.42) THRBPDE1BDGAT1SOAT1MAPT
SCHEMBL31601670 0.77 ALDH1A1 (0.37) PDE1BMAPTKEAP1NFE2L2
SCHEMBL31601750 0.77 PDE1B (0.39) THRBPDE1BMAPT
SCHEMBL31601761 0.77 ALDH1A1 (0.36) PDE1BLMNA

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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