SCHEMBL25030969

SCHEMBL25030969

CNC1CCC(N2CCC3(CC2)COC3)CC1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 2/20 0.40
HRH3 Q9Y5N1 7/20 0.33

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
SCHEMBL23155697 1.00 IRAK4 (0.40) IRAK4HRH3
SCHEMBL16604740 0.80 KDM4E (0.37) IRAK4HRH3
SCHEMBL16604736 0.80 KDM4E (0.37) IRAK4HRH3
SCHEMBL14817945 0.78 CHRM3 (0.35)
SCHEMBL25051168 0.77
SCHEMBL15685757 0.77 POLB (0.34) HRH3
SCHEMBL12793878 0.77 POLB (0.34) HRH3
SCHEMBL12793873 0.77 POLB (0.34) HRH3
SCHEMBL16604735 0.77 HRH3 (0.34) IRAK4HRH3
SCHEMBL14454163 0.76 KDM1A (0.45) IRAK4

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-2023016434-A1 COMPOUNDS TARGETING MUTANT OF P53 JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-16 WO disclosed