SCHEMBL1739700

SCHEMBL1739700

Cc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)ccc1OC(C)CC(N)=O

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.62
JAK3 P52333 20/20 0.62
JAK2 O60674 12/20 0.62
CYP3A4 P08684 9/20 0.62
CYP1A2 P05177 2/20 0.62
TYK2 P29597 1/20 0.61
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
SCHEMBL1739699 0.94 JAK1 (0.63) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL1742694 0.92 JAK1 (0.63) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL1740912 0.90 JAK1 (0.62) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL1740653 0.87 JAK1 (0.63) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341168 0.85 JAK1 (0.71) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340463 0.83 JAK1 (0.65) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL29610102 0.83 JAK1 (0.84) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL340558 0.83 JAK1 (0.84) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL342148 0.82 JAK3 (0.69) JAK1JAK3JAK2CYP3A4CYP1A2
SCHEMBL341375 0.82 JAK1 (0.82) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389372-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY Rigel Pharmaceuticals, Inc. (US) 2011-11-30 EP disclosed
US-8037782-B2 Steering column assembly FUJI KIKO CO., LTD. (JP) 2011-10-18 US disclosed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO disclosed