SCHEMBL13636964

SCHEMBL13636964

COC1CCCCC1Nc1c(C(=O)CCCN)cnc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 17/20 0.56
JAK3 P52333 16/20 0.56
JAK2 O60674 11/20 0.56
TYK2 P29597 2/20 0.41

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
SCHEMBL2105171 0.85 JAK2 (0.77) JAK1JAK3JAK2TYK2
SCHEMBL13398188 0.73 JAK2 (0.63) JAK1JAK3JAK2TYK2
SCHEMBL2105134 0.72 JAK2 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL2105933 0.72 JAK2 (1.00) JAK1JAK3JAK2TYK2
SCHEMBL2105652 0.72 JAK2 (0.75) JAK1JAK3JAK2TYK2
SCHEMBL13636626 0.71 JAK3 (0.37) JAK1JAK3JAK2TYK2
SCHEMBL2102224 0.71 JAK3 (0.81) JAK1JAK3JAK2TYK2
SCHEMBL2105647 0.71 JAK2 (0.78) JAK1JAK3JAK2TYK2
SCHEMBL2105006 0.71 JAK1 (0.61) JAK1JAK3JAK2TYK2
SCHEMBL2105604 0.71 JAK2 (0.73) JAK1JAK3JAK2TYK2

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-2123651-A1 CONDENSED PYRIDINE COMPOUND Astellas Pharma Inc. (JP) 2009-11-25 EP disclosed