SCHEMBL20161889

SCHEMBL20161889

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC)s3)c(C)cc2C)CC1

nearest known ligand 0.79

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.79
JAK3 P52333 16/20 0.79
TXK P42681 15/20 0.79
ITK Q08881 7/20 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
SCHEMBL24467288 0.97 JAK3 (0.78) BTKJAK3TXKITK
SCHEMBL23366069 0.91 BTK (0.77) BTKJAK3TXKITK
SCHEMBL20161893 0.90 JAK3 (0.85) BTKJAK3TXKITK
SCHEMBL20161401 0.89 JAK3 (1.00) BTKJAK3TXKITK
SCHEMBL24467273 0.88 JAK3 (0.80) BTKJAK3TXKITK
SCHEMBL24467256 0.87 JAK3 (0.84) BTKJAK3TXKITK
SCHEMBL24467338 0.86 TXK (0.84) BTKJAK3TXKITK
SCHEMBL20161400 0.85 JAK3 (1.00) BTKJAK3TXKITK
SCHEMBL20161928 0.85 JAK3 (1.00) BTKJAK3TXKITK
SCHEMBL24467330 0.85 BTK (0.85) BTKJAK3TXKITK

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