SCHEMBL29439775

SCHEMBL29439775

Cc1nc(Cl)nc2c(N)ncnc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 5/20 0.38
DBF4 Q9UBU7 5/20 0.38
ADORA2A P29274 5/20 0.36
ADORA1 P30542 5/20 0.36
ADORA2B P29275 4/20 0.36
CDK1 P06493 1/20 0.36
PI4KA P42356 3/20 0.35
PI4K2B Q8TCG2 3/20 0.35
PI4K2A Q9BTU6 3/20 0.35
PI4KB Q9UBF8 3/20 0.35
ADORA3 P0DMS8 3/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PDE5A O76074 1/20 0.34
PLK4 O00444 1/20 0.34

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
SCHEMBL22715140 1.00 CDC7 (0.38) CDC7DBF4ADORA2AADORA1ADORA2B
SCHEMBL7930934 0.82 CDK1 (0.43) CDC7ADORA2AADORA1ADORA2BCDK1
SCHEMBL23854570 0.81 CDK1 (0.34) CDK1
SCHEMBL29439788 0.81 CDK1 (0.34) CDK1
SCHEMBL22715058 0.72 CDK1 (0.34) ADORA2AADORA1ADORA2BCDK1ADORA3
SCHEMBL29439820 0.72 CDK1 (0.34) ADORA2AADORA1ADORA2BCDK1ADORA3
SCHEMBL22715698 0.72 CDC7 (0.40) CDC7DBF4ADORA2AADORA1ADORA2B
SCHEMBL29439648 0.72 CDC7 (0.40) CDC7DBF4ADORA2AADORA1ADORA2B
SCHEMBL28712027 0.70 PDE5A (0.46) CDC7DBF4PI4KAPI4K2BPI4K2A
SCHEMBL29472084 0.70 PDE5A (0.46) CDC7DBF4PI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4522608-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN Pharmaceutica NV (BE) 2025-03-19 EP disclosed
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
WO-2023217906-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2023-11-16 WO 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