SCHEMBL29079136

SCHEMBL29079136

O=C(O)N1Cc2cnn(C(F)(F)Br)c2C1

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.38
ABHD6 Q9BV23 1/20 0.33
HPGDS O60760 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
SCHEMBL15152857 0.83 PDK2 (0.43) PDK2HPGDS
SCHEMBL17205525 0.74 PDK2 (0.40) PDK2HPGDS
SCHEMBL28877850 0.73 NAMPT (0.46) PDK2HPGDS
SCHEMBL25305221 0.70 PDK2 (0.46) PDK2HPGDS
SCHEMBL15524703 0.69 NAMPT (0.38) PDK2HPGDS
SCHEMBL29079125 0.69 PDK2 (0.44) PDK2ABHD6
SCHEMBL19505289 0.67 PDK2 (0.41) PDK2ABHD6HPGDS
SCHEMBL827176 0.67 DPP4 (0.38)
SCHEMBL26074494 0.66 PDK2 (0.40) PDK2
SCHEMBL20364272 0.66 PDK2 (0.40) PDK2ABHD6

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
CN-116640156-A RIPK1 inhibitors 上海齐鲁制药研究中心有限公司 2023-08-25 CN disclosed