SCHEMBL3399148

SCHEMBL3399148

C[C@@H]1CCN(C(=O)C(C)(C)C#N)CC1n1c(=O)[nH]c2cnc3[nH]ccc3c21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 1.00
JAK2 O60674 19/20 1.00
JAK1 P23458 16/20 1.00
TYK2 P29597 1/20 0.50

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
SCHEMBL2103533 1.00 JAK3 (1.00) JAK3JAK2JAK1TYK2
SCHEMBL13398338 0.90 JAK2 (0.81) JAK3JAK2JAK1
SCHEMBL3316455 0.86 JAK2 (0.80) JAK3JAK2JAK1
SCHEMBL3314602 0.86 JAK2 (0.80) JAK3JAK2JAK1
SCHEMBL2102288 0.86 JAK3 (1.00) JAK3JAK2JAK1TYK2
SCHEMBL4600731 0.85 JAK2 (0.79) JAK3JAK2JAK1
SCHEMBL2104927 0.85 JAK2 (0.79) JAK3JAK2JAK1TYK2
SCHEMBL2106019 0.85 JAK3 (0.75) JAK3JAK2JAK1TYK2
SCHEMBL2106981 0.85 JAK3 (0.75) JAK3JAK2JAK1TYK2
SCHEMBL2106133 0.85 JAK2 (0.81) JAK3JAK2JAK1TYK2

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