SCHEMBL31601920

SCHEMBL31601920

CCOC(=O)CN(Cc1ccc(OC)cc1)c1cc(N2CCOCC2)nn2c(C(F)(F)F)cnc12

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 9/20 0.42
▸ SOAT1 P35610 8/20 0.42
▸ ALDH1A1 P00352 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP7 P55210 1/20 0.38
▸ THRB P10828 2/20 0.37
▸ POLB P06746 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ PDE1B Q01064 2/20 0.36
▸ FGFR2 P21802 1/20 0.35
▸ FGFR3 P22607 1/20 0.35
▸ PDE4B Q07343 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
SCHEMBL31601804 0.91 POLB (0.37) DGAT1SOAT1ALDH1A1POLBRXFP1
SCHEMBL31601778 0.91 ALDH1A1 (0.40) DGAT1SOAT1ALDH1A1GAACASP1
SCHEMBL31601747 0.90 P2RY12 (0.37) ALDH1A1POLBRXFP1KDM4EHSD17B10
SCHEMBL31601750 0.89 PDE1B (0.39) ALDH1A1GAACASP1CASP7THRB
SCHEMBL31601800 0.89 RXFP1 (0.37) DGAT1SOAT1ALDH1A1POLBRXFP1
SCHEMBL31601688 0.88 HPGD (0.38) ALDH1A1POLBRXFP1KDM4EMAPT
SCHEMBL31601738 0.88 CNR2 (0.36) ALDH1A1GAAPOLBRXFP1KDM4E
SCHEMBL31601954 0.86 POLB (0.36) ALDH1A1THRBPOLBRXFP1KDM4E
SCHEMBL31601815 0.86 SMN1; SMN2 (0.40) ALDH1A1POLBKDM4EHSD17B10MAPT
SCHEMBL31601908 0.85 POLB (0.35) ALDH1A1GAACASP1CASP7POLB

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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