SCHEMBL31601778

SCHEMBL31601778

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ GAA P10253 2/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ THRB P10828 2/20 0.39
▸ DGAT1 O75907 1/20 0.39
▸ SOAT1 P35610 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDE1B Q01064 5/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ WNT3A P56704 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ GPR6 P46095 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
SCHEMBL31601750 0.92 PDE1B (0.39) ALDH1A1GAACASP1CASP7THRB
SCHEMBL31601670 0.91 ALDH1A1 (0.37) ALDH1A1GAAKDM4EHSD17B10MAPT
SCHEMBL31601920 0.91 DGAT1 (0.42) ALDH1A1GAACASP1CASP7THRB
SCHEMBL31601761 0.91 ALDH1A1 (0.36) ALDH1A1GAACASP1CASP7KDM4E
SCHEMBL31601740 0.89 NPSR1 (0.37) ALDH1A1GAACASP1CASP7KDM4E
SCHEMBL31601796 0.89 THRB (0.38) GAATHRBDGAT1SOAT1KDM4E
SCHEMBL31601897 0.88 RXFP1 (0.38) ALDH1A1GAACASP1CASP7KDM4E
SCHEMBL31601814 0.87 ALDH1A1 (0.38) ALDH1A1GAACASP1CASP7THRB
SCHEMBL31601772 0.86 THRB (0.41) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601789 0.85 DGAT1 (0.40) GAATHRBDGAT1SOAT1KDM4E

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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