SCHEMBL23356201

SCHEMBL23356201

Cc1ccc(Nc2ncc(F)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc1S(C)(=O)=O

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.68
JAK3 P52333 20/20 0.68
JAK2 O60674 11/20 0.63
CYP3A4 P08684 8/20 0.63
SYK P43405 1/20 0.59
CYP1A2 P05177 2/20 0.59
TYK2 P29597 1/20 0.59

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
Trifluoroacetic Acid SCHEMBL29358806 0.93 JAK1 (0.61) JAK1JAK3JAK2CYP3A4SYK
Trifluoroacetic Acid SCHEMBL524937 0.93 JAK1 (0.61) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL23356150 0.93 JAK1 (0.69) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL340925 0.92 JAK1 (0.81) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29610035 0.92 JAK1 (0.81) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29609752 0.89 JAK1 (0.77) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL341335 0.89 JAK1 (0.77) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL341261 0.88 JAK1 (0.71) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL524768 0.87 JAK1 (0.72) JAK1JAK3JAK2CYP3A4SYK
Trifluoroacetic Acid SCHEMBL29360159 0.86 JAK1 (0.61) JAK1JAK3JAK2CYP3A4SYK

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