SCHEMBL3430719

SCHEMBL3430719

CC(C)C(C)Nc1c(C(N)=O)cnc2[nH]ccc12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 16/20 0.55
JAK3 P52333 15/20 0.55
JAK1 P23458 14/20 0.55
TYK2 P29597 5/20 0.53
NUDT1 P36639 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
SCHEMBL2104906 1.00 JAK2 (0.55) JAK2JAK3JAK1TYK2NUDT1
SCHEMBL2106504 1.00 JAK2 (0.55) JAK2JAK3JAK1TYK2NUDT1
SCHEMBL2105190 0.89 JAK2 (0.60) JAK2JAK3JAK1TYK2
SCHEMBL3403885 0.86 JAK2 (0.55) JAK2JAK3JAK1TYK2
SCHEMBL2106071 0.85 JAK2 (0.51) JAK2JAK3JAK1TYK2
SCHEMBL2107295 0.85 JAK2 (0.51) JAK2JAK3JAK1TYK2
SCHEMBL23989021 0.83 JAK2 (0.45) JAK2JAK3JAK1TYK2
SCHEMBL2104887 0.83 JAK2 (0.54) JAK2JAK3JAK1TYK2
SCHEMBL2105442 0.83 JAK2 (0.51) JAK2JAK3JAK1TYK2NUDT1
SCHEMBL2104973 0.82 JAK2 (0.48) JAK2JAK3JAK1TYK2

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-2251341-A1 Heterocyclic Janus kinase 3 inhibitors Astellas Pharma Inc. (JP) 2010-11-17 EP disclosed