SCHEMBL4560635

SCHEMBL4560635

CCOc1ccc(-c2nc(Nc3cnn(CC(=O)N4CCCCC4)c3)ncc2C)cc1F

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AXL P30530 3/20 0.44
JAK1 P23458 8/20 0.41
JAK2 O60674 7/20 0.41
TYK2 P29597 5/20 0.40
GRIN2B Q13224 4/20 0.40
JAK3 P52333 4/20 0.39
STAT3 P40763 1/20 0.39
IGF1R P08069 1/20 0.39

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
SCHEMBL4560651 0.99 AXL (0.43) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4560124 0.93 AXL (0.45) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4559900 0.92 JAK3 (0.45) JAK1JAK2TYK2GRIN2BJAK3
SCHEMBL5021994 0.92 KDM1A (0.45) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4562396 0.91 AXL (0.43) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4561515 0.90 AXL (0.42) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4562294 0.89 AXL (0.44) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4561089 0.88 AXL (0.43) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4561248 0.86 JAK3 (0.44) AXLJAK1JAK2TYK2GRIN2B
SCHEMBL4561908 0.86 JAK1 (0.43) JAK1JAK2TYK2JAK3STAT3

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 2 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 disclosed
WO-2012062704-A1 PYRIDINE COMPOUNDS AND AZA ANALOGUES THEREOF AS TYK2 INHIBITORS CELLZOME LIMITED (GB) 2012-05-18 WO disclosed