SCHEMBL31601743

SCHEMBL31601743

COc1ccc(CN(CC(=O)OC(C)(C)C)c2cc(N3CCOCC3)nn3ccnc23)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 2/20 0.38
▸ PIK3CA P42336 2/20 0.38
▸ PIK3CB P42338 2/20 0.38
▸ NR1D1 P20393 1/20 0.37
▸ NAPEPLD Q6IQ20 1/20 0.36
▸ THRB P10828 2/20 0.36
▸ FKBP1A P62942 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 5/20 0.35
▸ WNT3A P56704 1/20 0.35
▸ HPGD P15428 3/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ RAF1 P04049 1/20 0.34
▸ BRAF P15056 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ MAPK1 P28482 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
SCHEMBL31601978 0.91 NR1D1 (0.35) NR1D1MAPTHPGDALDH1A1KDM4E
SCHEMBL31601735 0.91 NR1D1 (0.35) NR1D1MAPTHPGDALDH1A1KDM4E
SCHEMBL31601888 0.87 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBNAPEPLDTHRB
SCHEMBL31602029 0.83 THRB (0.39) NR1D1NAPEPLDTHRBMAPTWNT3A
SCHEMBL31601938 0.82 THRB (0.36) NR1D1NAPEPLDTHRBFKBP1APOLB
SCHEMBL31601832 0.82 PDE1B (0.36) NR1D1NAPEPLDTHRBFKBP1APOLB
SCHEMBL31601720 0.80 THRB (0.36) NR1D1NAPEPLDTHRBMAPTWNT3A
SCHEMBL31601758 0.78 NR1D1 (0.35) NR1D1HPGDALDH1A1KDM4EHSD17B10
SCHEMBL31601898 0.76 ABCB1 (0.33) PIK3CAALDH1A1RAF1
SCHEMBL31601853 0.76 DGAT1 (0.40) PIK3CDNAPEPLDPOLBKDM4EDGAT1

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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