SCHEMBL31601796

SCHEMBL31601796

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

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.38
▸ DGAT1 O75907 3/20 0.38
▸ SOAT1 P35610 3/20 0.38
▸ MAPT P10636 1/20 0.37
▸ PDE1B Q01064 5/20 0.36
▸ KEAP1 Q14145 2/20 0.36
▸ NFE2L2 Q16236 2/20 0.36
▸ WNT3A P56704 1/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ POLB P06746 1/20 0.34
▸ FKBP1A P62942 1/20 0.34
▸ NAPEPLD Q6IQ20 1/20 0.34

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
SCHEMBL31601938 0.91 THRB (0.36) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601778 0.89 ALDH1A1 (0.40) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601789 0.85 DGAT1 (0.40) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601772 0.85 THRB (0.41) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601900 0.85 AKT1 (0.35) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601923 0.81 THRB (0.38) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601670 0.80 ALDH1A1 (0.37) MAPTPDE1BKEAP1NFE2L2RXFP1
SCHEMBL31601920 0.80 DGAT1 (0.42) THRBDGAT1SOAT1MAPTPDE1B
SCHEMBL31601750 0.80 PDE1B (0.39) THRBMAPTPDE1BKDM4EGAA
SCHEMBL31601761 0.80 ALDH1A1 (0.36) PDE1BRXFP1KDM4EGAAPOLB

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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