SCHEMBL30823317

SCHEMBL30823317

Cc1nccc(NC2CCC(Oc3cc(N4CCOCC4)cc4ncnc(C#N)c34)CC2)n1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 0.41
IKBKE Q14164 6/20 0.41
IRAK4 Q9NWZ3 1/20 0.39
JAK2 O60674 3/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL21177867 1.00 TBK1 (0.41) TBK1IKBKEIRAK4JAK2JAK1
SCHEMBL22651978 1.00 TBK1 (0.41) TBK1IKBKEIRAK4JAK2JAK1
SCHEMBL21187285 0.90 PIK3C3 (0.38) TBK1IKBKEIRAK4JAK2JAK1
SCHEMBL21178651 0.87 PIK3CD (0.37) TBK1IKBKEIRAK4
SCHEMBL30823294 0.87 PIK3CD (0.37) TBK1IKBKEIRAK4
SCHEMBL21187293 0.87 PIK3CD (0.37) TBK1IKBKEIRAK4
SCHEMBL22635848 0.84 IRAK4 (0.38) TBK1IKBKEIRAK4JAK2JAK1
SCHEMBL21187357 0.84 IRAK4 (0.38) TBK1IKBKEIRAK4JAK2JAK1
SCHEMBL21177873 0.84 PIK3C3 (0.38) TBK1IKBKEJAK2JAK1JAK3
SCHEMBL21187365 0.84 PIK3C3 (0.38) TBK1IKBKEJAK2JAK1JAK3

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-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 CN disclosed