SCHEMBL29610429

SCHEMBL29610429

Cc1ccc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc1C#N

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.81
JAK3 P52333 20/20 0.81
JAK2 O60674 11/20 0.69
CYP3A4 P08684 8/20 0.67
CYP1A2 P05177 2/20 0.66
SYK P43405 1/20 0.65
TYK2 P29597 1/20 0.64

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
SCHEMBL339387 1.00 JAK1 (0.81) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340816 0.92 JAK1 (0.77) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29752227 0.92 JAK1 (0.77) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356159 0.92 JAK1 (0.68) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341984 0.90 JAK1 (0.75) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341375 0.90 JAK1 (0.82) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL339564 0.89 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356199 0.89 JAK1 (0.81) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341586 0.88 JAK1 (0.77) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL342259 0.88 JAK1 (0.76) 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 2 patents. 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
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed