SCHEMBL30280747

SCHEMBL30280747

COC(=O)c1cc(-c2nnc(CCN(C)C)[nH]2)cc(C2CC2)c1C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38
FASN P49327 1/20 0.33
SPR P35270 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL30281015 0.88 FASN (0.34) FASN
SCHEMBL12488288 0.82 FASN (0.42) PDK2PDK4FASN
SCHEMBL30280872 0.78 PDK2 (0.39) PDK2PDK4SPR
SCHEMBL30280756 0.72 PDK2 (0.35) PDK2PDK4
SCHEMBL30281129 0.72 FASN (0.43) PDK2PDK4FASNSPRKDM4E
SCHEMBL30281061 0.71 FASN (0.46) PDK2PDK4FASNSPR
SCHEMBL30280967 0.70 PDK2 (0.36) PDK2PDK4KDM4E
SCHEMBL30281153 0.69 LMNA (0.31)
SCHEMBL30280964 0.69 JAK1 (0.35) PDK2PDK4FASNKDM4E
SCHEMBL12488258 0.67 FASN (0.42) PDK2PDK4FASNKDM4E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116139138-A Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-05-23 CN disclosed
CN-110177551-B Heterocyclic modulators of lipid synthesis 3-V生物科学股份有限公司 2023-02-17 CN disclosed