SCHEMBL20161903

SCHEMBL20161903

C=CC(=O)N1CCN(Cc2cc(Sc3cnc(NC(C)=O)s3)c(C)cc2OC)C[C@H]1C

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 18/20 0.73
BTK Q06187 17/20 0.73
TXK P42681 17/20 0.73
ITK Q08881 8/20 0.73

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
SCHEMBL20161839 0.84 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161840 0.84 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL24467220 0.84 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161841 0.82 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161838 0.82 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL24467298 0.82 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161926 0.81 JAK3 (0.65) JAK3BTKTXK
SCHEMBL20161868 0.78 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL24467211 0.78 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL24467192 0.77 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