SCHEMBL31601900

SCHEMBL31601900

COc1ccc(CN(CC(=O)Nc2c(N)ccc(F)c2F)c2cc(N3CCOCC3)nn3c(CC(F)(F)F)cnc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 7/20 0.35
▸ PIK3CD O00329 5/20 0.35
▸ PIK3CB P42338 3/20 0.35
▸ PIK3CA P42336 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ WNT3A P56704 1/20 0.34
▸ MAPT P10636 3/20 0.34
▸ GAA P10253 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ CSF1R P07333 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ DGAT1 O75907 1/20 0.32
▸ SOAT1 P35610 1/20 0.32
▸ KIT P10721 1/20 0.32
▸ PIK3C2B O00750 2/20 0.32
▸ PDE1B Q01064 1/20 0.32

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
SCHEMBL31601723 0.89 WNT3A (0.36) AKT1PIK3CDWNT3AMAPTGAA
SCHEMBL31601961 0.89 THRB (0.36) WNT3AMAPTGAATHRBALDH1A1
SCHEMBL31601796 0.85 THRB (0.38) WNT3AMAPTGAATHRBDGAT1
SCHEMBL31601913 0.84 HDAC2 (0.35) MAPTGAAALDH1A1LMNA
SCHEMBL31601881 0.84 MEN1 (0.33) MAPTGAAALDH1A1
SCHEMBL31601938 0.82 THRB (0.36) WNT3AMAPTGAATHRBLMNA
SCHEMBL31601860 0.78 ALDH1A1 (0.37) PIK3CDWNT3AMAPTGAATHRB
SCHEMBL31601778 0.75 ALDH1A1 (0.40) PIK3CDPIK3CBPIK3CAWNT3AMAPT
SCHEMBL31601920 0.74 DGAT1 (0.42) PIK3CAWNT3AMAPTGAATHRB
SCHEMBL31601750 0.72 PDE1B (0.39) PIK3CDPIK3CBPIK3CAMAPTGAA

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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