SCHEMBL20161779

SCHEMBL20161779

CNc1ncc(Sc2cc(C(=O)N3CCCN(C=O)CC3)c(OC)cc2C)s1

nearest known ligand 0.69

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 12/20 0.69
TXK P42681 11/20 0.69
BTK Q06187 11/20 0.69
ITK Q08881 11/20 0.69

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
SCHEMBL24467329 0.97 JAK3 (0.68) JAK3TXKBTKITK
SCHEMBL20161893 0.90 JAK3 (0.85) JAK3TXKBTKITK
SCHEMBL20162006 0.88 JAK3 (0.62) JAK3TXKBTKITK
SCHEMBL24467256 0.87 JAK3 (0.84) JAK3TXKBTKITK
SCHEMBL23366064 0.83 JAK3 (0.82) JAK3TXKBTKITK
SCHEMBL24467325 0.83 TXK (0.84) JAK3TXKBTKITK
SCHEMBL24467336 0.82 JAK3 (0.85) JAK3TXKBTKITK
SCHEMBL20161689 0.82 BTK (1.00) JAK3TXKBTKITK
SCHEMBL24467257 0.81 BTK (0.82) JAK3TXKBTKITK
SCHEMBL24467341 0.81 TXK (0.85) JAK3TXKBTKITK

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