SCHEMBL20161552

SCHEMBL20161552

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)CN(C)CCc4cc(OC)c(C(=O)N5CCCN(C(=O)C=C)CC5)cc4Sc4cnc(NC(=O)C5CCN(C)CC5)s4)s3)c(C)cc2OC)CC1

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 12/20 0.80
BTK Q06187 14/20 0.73
TXK P42681 14/20 0.73
JAK3 P52333 12/20 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
SCHEMBL20162007 0.89 ITK (1.00) ITKBTKTXKJAK3
SCHEMBL20161488 0.85 BTK (1.00) ITKBTKTXKJAK3
SCHEMBL20161688 0.85 BTK (1.00) ITKBTKTXKJAK3
SCHEMBL20161954 0.85 ITK (1.00) ITKBTKTXKJAK3
SCHEMBL20161917 0.84 BTK (0.81) ITKBTKTXKJAK3
SCHEMBL20161861 0.83 JAK3 (1.00) ITKBTKTXKJAK3
SCHEMBL20161730 0.83 JAK3 (1.00) ITKBTKTXKJAK3
SCHEMBL20161227 0.83 JAK3 (1.00) ITKBTKTXKJAK3
SCHEMBL24467262 0.81 ITK (0.83) ITKBTKTXKJAK3
SCHEMBL20161947 0.81 ITK (0.83) ITKBTKTXKJAK3

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