SCHEMBL16488303

SCHEMBL16488303

C[C@@H](N)C(=O)N1CCC[C@@H](N(C)c2ccnc3[nH]ccc23)C1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.58
JAK2 O60674 12/20 0.58
JAK3 P52333 6/20 0.58
BTK Q06187 3/20 0.48
TYK2 P29597 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL19884797 0.92 JAK1 (0.60) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884845 0.91 JAK1 (0.59) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884841 0.86 JAK1 (0.68) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884836 0.85 JAK1 (0.60) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884823 0.85 JAK1 (0.61) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884849 0.85 JAK1 (0.61) JAK1JAK2JAK3BTKTYK2
SCHEMBL10062200 0.84 JAK3 (0.60) JAK1JAK2JAK3TYK2
SCHEMBL353202 0.84 JAK3 (0.60) JAK1JAK2JAK3TYK2
SCHEMBL19884825 0.83 JAK1 (0.58) JAK1JAK2JAK3BTKTYK2
SCHEMBL19884802 0.82 JAK1 (0.57) JAK1JAK2JAK3BTKTYK2

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
EP-1828181-B1 PYRROLO[2,3-B]PYRIDIN-4-YL-AMINES AND PYRROLO[2M3-B]PYRIMIDIN-4-YL-AMINES AS JANUS KINASE INHIBITORS INCYTE CORP (US) 2015-02-18 EP disclosed