SCHEMBL20161771

SCHEMBL20161771

COc1cc(C)c(Sc2cnc(NC=O)s2)cc1C(=O)N1CC2(CCN(C=O)C2)C1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 17/20 0.65
BTK Q06187 13/20 0.65
TXK P42681 9/20 0.56
ITK Q08881 7/20 0.54

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
SCHEMBL24467227 0.90 JAK3 (0.67) JAK3BTKTXKITK
SCHEMBL20161769 0.82 JAK3 (0.67) JAK3BTKTXKITK
SCHEMBL24467329 0.80 JAK3 (0.68) JAK3BTKTXKITK
SCHEMBL23366064 0.80 JAK3 (0.82) JAK3BTKTXKITK
SCHEMBL20162002 0.79 TXK (0.66) JAK3BTKTXKITK
SCHEMBL27089792 0.79 JAK3 (0.85) JAK3BTKTXKITK
SCHEMBL20161487 0.79 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161779 0.78 JAK3 (0.69) JAK3BTKTXKITK
SCHEMBL29694606 0.78 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161491 0.78 JAK3 (1.00) JAK3BTKTXKITK

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
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed