SCHEMBL18855801

SCHEMBL18855801

CC[C@@H]1CCC[C@@H]1Nc1c([N+](=O)[O-])cnc2[nH]ccc12

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 19/20 0.46
JAK3 P52333 15/20 0.46
JAK2 O60674 10/20 0.46
TYK2 P29597 3/20 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
SCHEMBL18855797 0.80 JAK2 (0.49) JAK1JAK3JAK2TYK2
SCHEMBL9991873 0.80 JAK2 (0.49) JAK1JAK3JAK2TYK2
SCHEMBL9989736 0.78 JAK2 (0.55) JAK1JAK3JAK2TYK2
SCHEMBL2105006 0.77 JAK1 (0.61) JAK1JAK3JAK2TYK2
SCHEMBL2105652 0.77 JAK2 (0.75) JAK1JAK3JAK2TYK2
SCHEMBL31120995 0.74 JAK3 (0.66) JAK1JAK3JAK2
SCHEMBL2104859 0.74 JAK3 (0.66) JAK1JAK3JAK2
SCHEMBL17122720 0.73 JAK1 (0.69) JAK1JAK3JAK2TYK2
SCHEMBL17129858 0.73 JAK1 (0.69) JAK1JAK3JAK2TYK2
SCHEMBL18855803 0.73 L3MBTL1 (0.35) 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-2506716-B1 NOVEL TRICYCLIC COMPOUNDS ABBVIE INC (US) 2017-05-17 EP disclosed