SCHEMBL31601853

SCHEMBL31601853

Cc1cnc2c(N(CC(=O)OC(C)(C)C)Cc3ccccc3)cc(N3CCOCC3)nn12

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ DGAT1 O75907 12/20 0.40
▸ SOAT1 P35610 9/20 0.40
▸ KDM4E B2RXH2 1/20 0.38
▸ PIK3CD O00329 3/20 0.38
▸ MTOR P42345 3/20 0.38
▸ PIK3CG P48736 3/20 0.38
▸ PIK3C2B O00750 2/20 0.38
▸ POLB P06746 1/20 0.37
▸ CETP P11597 1/20 0.36
▸ NAPEPLD Q6IQ20 1/20 0.36
▸ AOC3 Q16853 1/20 0.36

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
SCHEMBL31601874 0.91 DGAT1 (0.40) DGAT1SOAT1KDM4EPIK3CDMTOR
SCHEMBL31602029 0.81 THRB (0.39) DGAT1SOAT1NAPEPLD
SCHEMBL31601832 0.80 PDE1B (0.36) DGAT1SOAT1KDM4EPOLBNAPEPLD
SCHEMBL31601938 0.80 THRB (0.36) DGAT1SOAT1KDM4EPOLBNAPEPLD
SCHEMBL31601720 0.78 THRB (0.36) DGAT1SOAT1KDM4ENAPEPLD
SCHEMBL31601824 0.76 ABCB1 (0.31) MTOR
SCHEMBL31601743 0.76 PIK3CD (0.38) DGAT1SOAT1KDM4EPIK3CDPOLB
SCHEMBL31601915 0.75 CETP (0.31) KDM4EMTORCETP
SCHEMBL31601780 0.75 PIK3CD (0.39) DGAT1SOAT1PIK3CDMTORPIK3CG
SCHEMBL31601753 0.74 DGAT1 (0.34) DGAT1SOAT1PIK3CDMTORPIK3CG

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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