SCHEMBL20161883

SCHEMBL20161883

COc1cc(C)c(Sc2cnc(NCC3CC3)s2)cc1C(=O)N1CCCN(C(=O)/C=C/CN(C)C)[C@H](C)C1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.83
JAK3 P52333 11/20 0.67
TXK P42681 14/20 0.65
BTK Q06187 13/20 0.65

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
SCHEMBL24467224 0.90 ITK (1.00) ITKJAK3TXKBTK
SCHEMBL20161436 0.90 ITK (1.00) ITKJAK3TXKBTK
SCHEMBL27089733 0.86 JAK3 (0.81) ITKJAK3TXKBTK
SCHEMBL20161935 0.86 TXK (0.80) ITKJAK3TXKBTK
SCHEMBL24467335 0.81 JAK3 (0.80) ITKJAK3TXKBTK
SCHEMBL20161678 0.80 JAK3 (1.00) ITKJAK3TXKBTK
SCHEMBL24467300 0.80 JAK3 (1.00) ITKJAK3TXKBTK
SCHEMBL24467325 0.80 TXK (0.84) ITKJAK3TXKBTK
SCHEMBL20161470 0.80 ITK (0.77) ITKJAK3TXKBTK
SCHEMBL24467258 0.79 JAK3 (0.79) ITKJAK3TXKBTK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 EP disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed