SCHEMBL23356151

SCHEMBL23356151

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c(F)cc1C

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.74
JAK3 P52333 20/20 0.74
JAK2 O60674 12/20 0.74
CYP1A2 P05177 2/20 0.74
TYK2 P29597 1/20 0.74
CYP3A4 P08684 9/20 0.72
SYK P43405 1/20 0.58

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
SCHEMBL340751 0.95 JAK1 (0.74) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29609914 0.95 JAK1 (0.74) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL23356158 0.95 JAK1 (0.66) JAK1JAK3JAK2CYP1A2TYK2
Trifluoroacetic Acid SCHEMBL525205 0.94 JAK1 (0.67) JAK1JAK3JAK2CYP1A2TYK2
Trifluoroacetic Acid SCHEMBL29358677 0.94 JAK1 (0.67) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL340337 0.91 JAK1 (0.72) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29610770 0.91 JAK1 (0.72) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL341761 0.89 JAK1 (0.72) JAK1JAK3JAK2CYP1A2TYK2
SCHEMBL29780528 0.89 JAK1 (0.72) JAK1JAK3JAK2CYP1A2TYK2
Trifluoroacetic Acid SCHEMBL524894 0.89 JAK1 (0.60) JAK1JAK3JAK2CYP1A2TYK2

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-2598500-B1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS INC (US) 2021-05-19 EP claimed