SCHEMBL30862500

SCHEMBL30862500

COCCN1CCC2(CCCN(c3c(N)cc4c(c3C#N)OC(C)(C)C4)C2)CC1

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.34
HDAC1 Q13547 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
FFAR4 Q5NUL3 1/20 0.31
CCR8 P51685 1/20 0.30
KCNH2 Q12809 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
SCHEMBL30862495 0.85 MEN1 (0.33) HDAC2HDAC1IRAK4FFAR4
SCHEMBL30862508 0.73 IRAK4 (0.41) HDAC2HDAC1IRAK4
SCHEMBL19030638 0.73 IRAK4 (0.49) IRAK4
SCHEMBL29153756 0.71 IRAK4 (0.34) IRAK4
SCHEMBL30862510 0.67 RET (0.39) IRAK4KCNH2
Trifluoroacetic Acid SCHEMBL30862509 0.65 SMN1; SMN2 (0.35) IRAK4FFAR4
SCHEMBL29153768 0.64
SCHEMBL19045180 0.61 IRAK4 (0.53) IRAK4
SCHEMBL29329315 0.60 USP2 (0.36) HDAC2HDAC1
SCHEMBL29153744 0.58

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-117510497-A DGK zeta inhibitors 山东轩竹医药科技有限公司 2024-02-06 CN disclosed