SCHEMBL31601795

SCHEMBL31601795

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(N3CCC(=O)CC3)nn3c(C(F)(F)F)cnc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 3/20 0.33
▸ HTT P42858 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ NR1D1 P20393 1/20 0.33
▸ PDE1B Q01064 8/20 0.33
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ F10 P00742 1/20 0.31
▸ GAA P10253 2/20 0.31
▸ CASP1 P29466 2/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RXFP1 Q9HBX9 1/20 0.31
▸ HSD17B10 Q99714 2/20 0.31
▸ HPGD P15428 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL31601736 0.92 ALDH1A1 (0.34) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601761 0.91 ALDH1A1 (0.36) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601748 0.89 NR1D1 (0.34) NPSR1L3MBTL1NR1D1PDE1BOPRM1
SCHEMBL31601688 0.85 HPGD (0.38) ALDH1A1KDM4EPOLBRXFP1HPGD
SCHEMBL31601735 0.83 NR1D1 (0.35) ALDH1A1KDM4ENPSR1L3MBTL1NR1D1
SCHEMBL31601670 0.82 ALDH1A1 (0.37) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601920 0.82 DGAT1 (0.42) ALDH1A1KDM4EPDE1BGAACASP1
SCHEMBL31601804 0.82 POLB (0.37) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601908 0.82 POLB (0.35) ALDH1A1KDM4EHTTNPSR1TDP1
SCHEMBL31601778 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EHTTNPSR1TDP1

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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