SCHEMBL31601748

SCHEMBL31601748

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

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.34
▸ OPRM1 P35372 1/20 0.32
▸ OPRL1 P41146 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32
▸ CACNA1H O95180 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ PDE1B Q01064 7/20 0.31
▸ ME2 P23368 1/20 0.31
▸ ME1 P48163 1/20 0.31
▸ ME3 Q16798 1/20 0.31
▸ SLC2A1 P11166 1/20 0.31
▸ HPGD P15428 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ THRB P10828 1/20 0.30
▸ TP53 P04637 1/20 0.30

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
SCHEMBL31601880 0.92 NR1D1 (0.34) NR1D1GPR119LMNAPDE1BME2
SCHEMBL31601795 0.89 ALDH1A1 (0.33) NR1D1OPRM1OPRL1CACNA1HLMNA
SCHEMBL31601735 0.84 NR1D1 (0.35) NR1D1OPRM1OPRL1CACNA1HLMNA
SCHEMBL31601874 0.82 DGAT1 (0.40) —
SCHEMBL31601736 0.81 ALDH1A1 (0.34) NR1D1PDE1BME2ME1ME3
SCHEMBL31602029 0.80 THRB (0.39) NR1D1LMNAPDE1BTHRB
SCHEMBL31601761 0.80 ALDH1A1 (0.36) LMNAPDE1BME2ME1ME3
SCHEMBL31601839 0.80 NR1D1 (0.35) NR1D1LMNANPSR1L3MBTL1
SCHEMBL31601938 0.79 THRB (0.36) NR1D1LMNAPDE1BHSD17B10THRB
SCHEMBL31601832 0.79 PDE1B (0.36) NR1D1PDE1BTHRB

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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