SCHEMBL20161935

SCHEMBL20161935

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NCC4CC4)s3)c(C)cc2OC)[C@@H](C)C1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXK P42681 16/20 0.80
ITK Q08881 7/20 0.80
JAK3 P52333 16/20 0.74
BTK Q06187 16/20 0.74

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
SCHEMBL20161395 0.89 TXK (1.00) TXKITKJAK3BTK
SCHEMBL24467312 0.89 TXK (1.00) TXKITKJAK3BTK
SCHEMBL24467258 0.89 JAK3 (0.79) TXKITKJAK3BTK
SCHEMBL24467335 0.88 JAK3 (0.80) TXKITKJAK3BTK
SCHEMBL20161883 0.86 ITK (0.83) TXKITKJAK3BTK
SCHEMBL24467297 0.85 JAK3 (1.00) TXKITKJAK3BTK
SCHEMBL20161523 0.85 JAK3 (1.00) TXKITKJAK3BTK
SCHEMBL20161524 0.85 JAK3 (1.00) TXKITKJAK3BTK
SCHEMBL20161838 0.85 JAK3 (1.00) TXKITKJAK3BTK
SCHEMBL20161841 0.85 JAK3 (1.00) TXKITKJAK3BTK

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