SCHEMBL29439823

SCHEMBL29439823

CSc1ncnc2nc(-c3cccc(I)c3)sc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 1/20 0.35
DBF4 Q9UBU7 1/20 0.35
STK17B O94768 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IKBKB O14920 1/20 0.31
MAP3K8 P41279 2/20 0.31
STK17A Q9UEE5 1/20 0.31
EGFR P00533 1/20 0.30
IGF1R P08069 1/20 0.30
SRC P12931 1/20 0.30
KDR P35968 1/20 0.30
EPHB4 P54760 1/20 0.30
TYK2 P29597 1/20 0.30
METAP2 P50579 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
SCHEMBL22715327 1.00 CDC7 (0.35) CDC7DBF4STK17BALDH1A1LMNA
SCHEMBL22715176 0.82 IKBKB (0.33) ALDH1A1LMNATP53HSD17B10IKBKB
SCHEMBL22715917 0.82 IKBKB (0.44) CDC7DBF4ALDH1A1TP53HSD17B10
SCHEMBL29439677 0.82 IKBKB (0.33) ALDH1A1LMNATP53HSD17B10IKBKB
SCHEMBL29439756 0.82 IKBKB (0.44) CDC7DBF4ALDH1A1TP53HSD17B10
SCHEMBL29439774 0.79 LIMK1 (0.35) EGFRTYK2
SCHEMBL22715521 0.79 LIMK1 (0.35) EGFRTYK2
SCHEMBL793082 0.76 TYK2 (0.51) CDC7DBF4ALDH1A1LMNATP53
SCHEMBL23172713 0.68 RAB9A (0.40) ALDH1A1LMNATP53HSD17B10
SCHEMBL22715976 0.68 PIK3CG (0.59) IKBKBKDR

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