SCHEMBL24467262

SCHEMBL24467262

COc1cc(C)c(Sc2cnc(NC(=O)C3CC3)s2)cc1C(=O)N1CCCN(C)CC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.83
BTK Q06187 15/20 0.83
JAK3 P52333 14/20 0.83
TXK P42681 13/20 0.83

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
SCHEMBL14460867 0.97 ITK (0.87) ITKBTKJAK3TXK
SCHEMBL24467257 0.91 BTK (0.82) ITKBTKJAK3TXK
SCHEMBL20162007 0.91 ITK (1.00) ITKBTKJAK3TXK
SCHEMBL20161488 0.91 BTK (1.00) ITKBTKJAK3TXK
SCHEMBL20161688 0.91 BTK (1.00) ITKBTKJAK3TXK
SCHEMBL14460675 0.90 ITK (1.00) ITKBTKJAK3TXK
SCHEMBL24467279 0.89 ITK (0.83) ITKBTKJAK3TXK
SCHEMBL14461103 0.88 ITK (0.83) ITKBTKJAK3TXK
SCHEMBL20161227 0.88 JAK3 (1.00) ITKBTKJAK3TXK
SCHEMBL14460868 0.88 ITK (1.00) ITKBTKJAK3TXK

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
US-9593073-B2 Method for the preparation of diazoalkanes BAKHU LIMITED (GB) 2017-03-14 US disclosed