SCHEMBL31601749

SCHEMBL31601749

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

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1D1 P20393 1/20 0.36
▸ PDE1B Q01064 6/20 0.33
▸ ACLY P53396 1/20 0.33
▸ NR3C1 P04150 1/20 0.32
▸ MLYCD O95822 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ OPRM1 P35372 1/20 0.31
▸ OPRL1 P41146 1/20 0.31
▸ AAK1 Q2M2I8 1/20 0.31
▸ PIK3CD O00329 1/20 0.31
▸ MKNK2 Q9HBH9 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
SCHEMBL31601938 0.85 THRB (0.36) NR1D1PDE1BLMNAGAAKDM4E
SCHEMBL31601796 0.75 THRB (0.38) PDE1BGAAKDM4E
SCHEMBL31601736 0.74 ALDH1A1 (0.34) NR1D1PDE1BALDH1A1MEN1GAA
SCHEMBL31601795 0.73 ALDH1A1 (0.33) NR1D1PDE1BALDH1A1LMNAMEN1
SCHEMBL31601839 0.73 NR1D1 (0.35) NR1D1ALDH1A1LMNAKDM4EHTT
SCHEMBL31601786 0.73 NR1D1 (0.35) NR1D1PDE1BALDH1A1LMNAKDM4E
SCHEMBL31601880 0.72 NR1D1 (0.34) NR1D1PDE1BALDH1A1LMNAMEN1
SCHEMBL20504580 0.71 TGFBR1 (0.35) NR1D1PDE1BMLYCDALDH1A1LMNA
SCHEMBL31601931 0.71 PDE1B (0.39) PDE1BACLYNR3C1ALDH1A1LMNA
SCHEMBL31601784 0.71 CCNT1 (0.34) L3MBTL1

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
Send feedback