SCHEMBL31601938

SCHEMBL31601938

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

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.36
▸ MAPT P10636 1/20 0.35
▸ PDE1B Q01064 6/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ DGAT1 O75907 1/20 0.35
▸ SOAT1 P35610 1/20 0.35
▸ NR1D1 P20393 1/20 0.34
▸ WNT3A P56704 1/20 0.34
▸ GRM2 Q14416 1/20 0.34
▸ KDM4E B2RXH2 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NAPEPLD Q6IQ20 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ CSF1R P07333 1/20 0.32
▸ LMNA P02545 1/20 0.32

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
SCHEMBL31601796 0.91 THRB (0.38) THRBMAPTPDE1BRXFP1DGAT1
SCHEMBL31601832 0.87 PDE1B (0.36) THRBMAPTPDE1BRXFP1DGAT1
SCHEMBL31602029 0.87 THRB (0.39) THRBMAPTPDE1BRXFP1DGAT1
SCHEMBL31601749 0.85 NR1D1 (0.36) PDE1BNR1D1KDM4EGAALMNA
SCHEMBL31601720 0.83 THRB (0.36) THRBMAPTPDE1BRXFP1DGAT1
SCHEMBL31601743 0.82 PIK3CD (0.38) THRBMAPTRXFP1DGAT1SOAT1
SCHEMBL31601736 0.81 ALDH1A1 (0.34) MAPTPDE1BRXFP1NR1D1KDM4E
SCHEMBL31601795 0.81 ALDH1A1 (0.33) PDE1BRXFP1NR1D1KDM4EGAA
SCHEMBL31601920 0.81 DGAT1 (0.42) THRBMAPTPDE1BRXFP1DGAT1
SCHEMBL31601778 0.80 ALDH1A1 (0.40) THRBMAPTPDE1BRXFP1DGAT1

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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