SCHEMBL29610048

SCHEMBL29610048

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)ccc1C(=O)N(C)C

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
CYP3A4 P08684 9/20 0.74
CYP1A2 P05177 2/20 0.73
TYK2 P29597 1/20 0.71
SYK P43405 1/20 0.57

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
SCHEMBL339452 1.00 JAK1 (0.74) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341213 0.93 JAK1 (0.71) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29609798 0.93 JAK1 (0.71) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340653 0.91 JAK1 (0.77) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340866 0.87 JAK1 (0.86) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341683 0.86 JAK1 (0.71) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29609966 0.86 JAK1 (0.71) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341514 0.86 JAK1 (0.69) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610744 0.86 JAK1 (0.69) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL339740 0.86 JAK1 (0.93) 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