SCHEMBL23166499

SCHEMBL23166499

Fc1cnc2[nH]ccc2c1.O=[N+]([O-])c1c[nH]c2ncc(F)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NUDT1 P36639 1/20 0.39
CDK8 P49336 5/20 0.37
AXL P30530 1/20 0.37
APP P05067 1/20 0.36
PIK3CD O00329 2/20 0.36
PIK3CA P42336 2/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
RIPK1 Q13546 3/20 0.35
DYRK1B Q9Y463 2/20 0.35
DYRK1A Q13627 1/20 0.35
BTK Q06187 3/20 0.34
ITK Q08881 3/20 0.34
MET P08581 1/20 0.34
MTOR P42345 1/20 0.34
CDK7 P50613 2/20 0.33
CCNT1 O60563 1/20 0.33
CCND1 P24385 1/20 0.33
CCNC P24863 1/20 0.33
CDK9 P50750 1/20 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
SCHEMBL23166582 0.88 DYRK1A (0.39) DYRK1BDYRK1AMET
SCHEMBL23165972 0.81 GSK3B (0.43) PIK3CDPIK3CGDYRK1BDYRK1AMET
SCHEMBL297772 0.78 CDK8 (0.55) NUDT1CDK8AXLAPPPIK3CD
SCHEMBL15155057 0.71 JAK2 (0.48) DYRK1BDYRK1AMETPDGFRBPDGFRA
SCHEMBL7114099 0.71 DYRK1A (0.48) CDK8DYRK1BDYRK1ABTKITK
SCHEMBL15154912 0.71 SMN1; SMN2 (0.44) DYRK1BDYRK1AMET
SCHEMBL1365382 0.70 ALDH1A1 (0.51) NUDT1CDK8AXLPIK3CDPIK3CA
SCHEMBL26630297 0.70 DYRK1A (0.42) NUDT1CDK8AXLPIK3CDPIK3CA
SCHEMBL7111817 0.69 AXL (0.60) CDK8AXLRIPK1DYRK1BDYRK1A
SCHEMBL21988117 0.69 TDP1 (0.37)

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-2021067791-A1 OXALAMIDE COMPOUNDS AND COMPOSITIONS FOR TREATING CONDITIONS ASSOCIATED WITH STING ACTIVITY IFM DUE, INC. (US) 2021-04-08 WO disclosed