SCHEMBL29609752

SCHEMBL29609752

Cc1cnc(Nc2ccc(F)c(S(C)(=O)=O)c2)nc1Nc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.77
JAK3 P52333 20/20 0.77
JAK2 O60674 11/20 0.73
CYP3A4 P08684 8/20 0.73
SYK P43405 1/20 0.67
CYP1A2 P05177 2/20 0.66
TYK2 P29597 1/20 0.66

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
SCHEMBL341335 1.00 JAK1 (0.77) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL23356150 0.93 JAK1 (0.69) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL340925 0.92 JAK1 (0.81) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29610035 0.92 JAK1 (0.81) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29609806 0.90 JAK1 (0.62) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL340889 0.90 JAK1 (0.62) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL341714 0.90 JAK1 (0.62) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL29610012 0.90 JAK1 (0.62) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL23356201 0.89 JAK1 (0.68) JAK1JAK3JAK2CYP3A4SYK
SCHEMBL340245 0.89 JAK1 (0.81) 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-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed