SCHEMBL29439870

SCHEMBL29439870

Nc1ncnc2ncc(-c3cccc(Br)c3)nc12

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.61
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
ADK P55263 8/20 0.48
MAP4K4 O95819 3/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPT P10636 1/20 0.46
HPGD P15428 1/20 0.46
HK1 P19367 1/20 0.46
RAB9A P51151 1/20 0.46
HKDC1 Q2TB90 1/20 0.46

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
SCHEMBL22715806 1.00 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBHDAC6ADK
SCHEMBL3799709 0.82 PIK3CG (0.62) PIK3CGPIK3CAPIK3CBHDAC6ADK
SCHEMBL11446157 0.75 MAP4K4 (0.61) PIK3CGADKMAP4K4
SCHEMBL11445170 0.75 PIK3CG (0.61) PIK3CGPIK3CAPIK3CBHDAC6ADK
SCHEMBL3766438 0.74 PIK3CG (0.63) PIK3CGADKMAP4K4HPGD
SCHEMBL11446163 0.73 ADK (0.67) PIK3CGADKHPGD
SCHEMBL8147564 0.72 ADK (0.68) ADKALDH1A1MAPTHPGD
SCHEMBL8139237 0.71 ADK (0.76) ADKALDH1A1MAPTHPGD
SCHEMBL17027901 0.71 IDO1 (0.58) ALDH1A1MAPTHPGDHK1RAB9A
SCHEMBL14738663 0.71 BIRC5 (0.45) PIK3CGALDH1A1MAPTHPGDHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908957-A Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-11-08 CN disclosed
CN-114222737-B Small molecule inhibitors of NF- κB induced kinase 詹森药业有限公司 2024-07-26 CN disclosed
EP-3976597-A1 SMALL MOLECULE INHIBITORS OF NF-KB INDUCING KINASE Janssen Pharmaceutica NV (BE) 2022-04-06 EP disclosed
CN-114222737-A Small molecule inhibitor of NF-kB induced kinase 詹森药业有限公司 2022-03-22 CN disclosed