SCHEMBL28801347

SCHEMBL28801347

CN(C(=O)OC(C)(C)C)c1cnc2[nH]ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 5/20 0.46
JAK3 P52333 4/20 0.46
JAK2 O60674 2/20 0.46
MAPK1 P28482 12/20 0.40
RIPK1 Q13546 1/20 0.38
PAX8 Q06710 1/20 0.37

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
SCHEMBL17827128 0.83 JAK3 (0.39) JAK1JAK3JAK2MAPK1RIPK1
SCHEMBL2319051 0.81 JAK3 (0.51) JAK1JAK3JAK2MAPK1RIPK1
SCHEMBL22981473 0.77 PAX8 (0.37) JAK1JAK3JAK2PAX8
SCHEMBL27893041 0.75 SYK (0.39) JAK1JAK3JAK2MAPK1PAX8
SCHEMBL16249709 0.75 JAK1 (0.49) JAK1JAK3JAK2
SCHEMBL23616433 0.74 JAK3 (0.51) JAK1JAK3JAK2MAPK1
SCHEMBL2318269 0.72 MEN1 (0.46) JAK1JAK3JAK2MAPK1RIPK1
SCHEMBL2376996 0.72 JAK3 (0.70) JAK1JAK3JAK2
SCHEMBL12389613 0.71 JAK1 (0.46) JAK1JAK3JAK2MAPK1
SCHEMBL28334344 0.70 MAPK1 (0.48) JAK1JAK3JAK2MAPK1RIPK1

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
CN-102711470-A Novel tricyclic compounds ABBOTT LAB 2012-10-03 CN disclosed