SCHEMBL1742228

SCHEMBL1742228

CCCNS(=O)(=O)c1cccc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 20/20 0.77
JAK3 P52333 20/20 0.77
SYK P43405 1/20 0.76
JAK2 O60674 9/20 0.60
CYP3A4 P08684 6/20 0.58
CYP1A2 P05177 2/20 0.57
TYK2 P29597 1/20 0.56

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
SCHEMBL15392287 0.88 JAK1 (0.73) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL15908235 0.87 JAK1 (1.00) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL341635 0.87 JAK1 (0.79) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL341199 0.87 JAK1 (0.79) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL340382 0.84 JAK1 (0.81) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL341375 0.83 JAK1 (0.82) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL341097 0.83 JAK1 (0.73) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL1741339 0.83 JAK1 (0.65) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL340415 0.82 JAK1 (0.78) JAK1JAK3SYKJAK2CYP3A4
SCHEMBL339846 0.82 JAK1 (0.78) JAK1JAK3SYKJAK2CYP3A4

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 7 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 claimed
US-8037782-B2 Steering column assembly FUJI KIKO CO., LTD. (JP) 2011-10-18 US claimed
WO-2010085684-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2010-07-29 WO claimed
WO-2013173506-A2 METHOD OF TREATING MUSCULAR DEGRADATION RIGEL PHARMACEUTICALS, INC. (US) 2013-11-21 WO disclosed
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