SCHEMBL31602029

SCHEMBL31602029

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

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.39
▸ PDE1B Q01064 8/20 0.38
▸ PDE2A O00408 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ NAPEPLD Q6IQ20 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ DGAT1 O75907 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ LMNA P02545 2/20 0.35
▸ NR1D1 P20393 1/20 0.35
▸ WNT3A P56704 1/20 0.35

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
SCHEMBL31601772 0.90 THRB (0.41) THRBPDE1BPDE2AMAPTNAPEPLD
SCHEMBL31601720 0.87 THRB (0.36) THRBPDE1BMAPTNAPEPLDRXFP1
SCHEMBL31601832 0.87 PDE1B (0.36) THRBPDE1BMAPTNAPEPLDRXFP1
SCHEMBL31601938 0.87 THRB (0.36) THRBPDE1BMAPTNAPEPLDRXFP1
SCHEMBL31601743 0.83 PIK3CD (0.38) THRBMAPTNAPEPLDRXFP1DGAT1
SCHEMBL31601853 0.81 DGAT1 (0.40) NAPEPLDDGAT1SOAT1
SCHEMBL31601880 0.81 NR1D1 (0.34) PDE1BMAPTRXFP1LMNANR1D1
SCHEMBL31601874 0.81 DGAT1 (0.40) NAPEPLDDGAT1SOAT1
SCHEMBL31601748 0.80 NR1D1 (0.34) THRBPDE1BLMNANR1D1
SCHEMBL31601736 0.80 ALDH1A1 (0.34) PDE1BMAPTRXFP1NR1D1

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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