SCHEMBL28778593

SCHEMBL28778593

Cc1cnc(Nc2cc(C)c(C)c(C(N)=O)c2)nc1Nc1ccc2oc(=O)[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.72
JAK3 P52333 20/20 0.72
JAK2 O60674 12/20 0.72
CYP3A4 P08684 9/20 0.72
CYP1A2 P05177 2/20 0.72
TYK2 P29597 1/20 0.65
SYK P43405 1/20 0.63

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
SCHEMBL525327 0.92 JAK1 (0.73) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29752114 0.92 JAK1 (0.69) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL342004 0.91 JAK1 (0.85) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL525379 0.90 JAK1 (0.76) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340213 0.90 JAK1 (0.84) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL525129 0.88 JAK1 (0.79) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610621 0.88 JAK1 (0.66) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL1738980 0.88 JAK1 (0.66) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29921308 0.87 JAK1 (0.73) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340940 0.87 JAK1 (0.73) JAK1JAK3JAK2CYP3A4CYP1A2

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
CN-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 CN disclosed