SCHEMBL4561963

SCHEMBL4561963

COCCNS(=O)(=O)c1ccc(-c2nc(Nc3cnn(C)c3)ncc2C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 11/20 0.51
CDK4 P11802 4/20 0.51
JAK2 O60674 3/20 0.48
JAK1 P23458 3/20 0.48
TYK2 P29597 2/20 0.48
STAT3 P40763 2/20 0.48
JAK3 P52333 2/20 0.48
CDK1 P06493 6/20 0.48
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
SYK P43405 1/20 0.47
HTT P42858 1/20 0.47
CCNA2 P20248 2/20 0.46
CDK6 Q00534 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
SCHEMBL4562162 0.90 JAK2 (0.51) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4561807 0.89 JAK2 (0.50) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4562293 0.89 JAK1 (0.50) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4561178 0.88 JAK1 (0.52) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4562164 0.85 JAK3 (0.48) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4560785 0.84 JAK2 (0.55) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4561757 0.84 JAK1 (0.53) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4560733 0.83 BRAF (0.52) JAK2JAK1TYK2STAT3JAK3
SCHEMBL4561156 0.82 CCNB2 (0.62) CDK2JAK2JAK1TYK2STAT3
SCHEMBL4562633 0.82 CCNB2 (0.62) CDK2JAK2JAK1TYK2STAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638018-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS Cellzome Limited (GB) 2013-09-18 EP claimed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO claimed
EP-2638018-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS Cellzome Limited (GB) 2013-09-18 EP disclosed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed