SCHEMBL20161893

SCHEMBL20161893

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC)s3)c(C)cc2OC)CC1

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.85
BTK Q06187 15/20 0.85
TXK P42681 14/20 0.85
ITK Q08881 7/20 0.85

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
SCHEMBL24467256 0.97 JAK3 (0.84) JAK3BTKTXKITK
SCHEMBL23366064 0.92 JAK3 (0.82) JAK3BTKTXKITK
SCHEMBL20161689 0.92 BTK (1.00) JAK3BTKTXKITK
SCHEMBL20161889 0.90 BTK (0.79) JAK3BTKTXKITK
SCHEMBL20161779 0.90 JAK3 (0.69) JAK3BTKTXKITK
SCHEMBL20161488 0.90 BTK (1.00) JAK3BTKTXKITK
SCHEMBL20161516 0.90 ITK (1.00) JAK3BTKTXKITK
SCHEMBL20161942 0.90 BTK (1.00) JAK3BTKTXKITK
SCHEMBL20161688 0.90 BTK (1.00) JAK3BTKTXKITK
SCHEMBL24467325 0.89 TXK (0.84) 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