SCHEMBL29610050

SCHEMBL29610050

COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(OC)c1C

nearest known ligand 0.93

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.93
JAK3 P52333 20/20 0.93
JAK2 O60674 12/20 0.93
CYP3A4 P08684 9/20 0.93
CYP1A2 P05177 2/20 0.93
TYK2 P29597 1/20 0.83
SYK P43405 1/20 0.65

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
SCHEMBL339740 1.00 JAK1 (0.93) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340566 0.96 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610386 0.96 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL23356197 0.94 JAK1 (0.85) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341658 0.93 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340866 0.93 JAK1 (0.86) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610930 0.92 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL15389376 0.92 JAK1 (0.85) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341686 0.92 JAK1 (1.00) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340558 0.91 JAK1 (0.84) 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
EP-4009974-A1 COMPOUNDS AND METHOD FOR TREATING CYTOKINE RELEASE SYNDROME Rigel Pharmaceuticals, Inc. (US) 2022-06-15 EP disclosed