SCHEMBL4561138

SCHEMBL4561138

CCNC(=O)Cn1cc(Nc2ncc(C)c(-c3ccc(C(=O)NCC)cc3)n2)cn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 8/20 0.49
▸ JAK3 P52333 7/20 0.49
▸ JAK1 P23458 6/20 0.44
▸ TYK2 P29597 3/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ FLT3 P36888 3/20 0.43

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
SCHEMBL4559060 0.92 JAK2 (0.44) JAK2JAK3JAK1TYK2FLT3
SCHEMBL4562646 0.89 JAK2 (0.48) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4562260 0.89 JAK2 (0.49) JAK2JAK3JAK1TYK2STAT3
SCHEMBL27917397 0.88 JAK2 (0.44) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4560136 0.88 JAK2 (0.48) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4560798 0.88 JAK3 (0.48) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4559030 0.87 JAK2 (0.54) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4559528 0.87 CDK1 (0.43) JAK2JAK3JAK1TYK2STAT3
SCHEMBL5021905 0.86 JAK2 (0.57) JAK2JAK3JAK1TYK2STAT3
SCHEMBL4561601 0.83 JAK3 (0.42) JAK2JAK3JAK1TYK2STAT3

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
CN-103298794-A Pyridine compounds and aza analogues thereof as TYK2 inhibitors CELLZOME LTD 2013-09-11 — — CN 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
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