SCHEMBL20161548

SCHEMBL20161548

C=C(C)C(O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)c4cccc(CN(C)C)c4)s3)c(C)cc2OC)CC1

nearest known ligand 0.83

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXK P42681 14/20 0.83
ITK Q08881 7/20 0.83
BTK Q06187 16/20 0.80
JAK3 P52333 13/20 0.80

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
SCHEMBL20161717 0.91 TXK (1.00) TXKITKBTKJAK3
SCHEMBL24467303 0.89 BTK (0.86) TXKITKBTKJAK3
SCHEMBL20139546 0.89 BTK (1.00) TXKITKBTKJAK3
SCHEMBL29933053 0.89 BTK (1.00) TXKITKBTKJAK3
SCHEMBL23366101 0.88 TXK (0.84) TXKITKBTKJAK3
SCHEMBL27089740 0.87 BTK (0.82) TXKITKBTKJAK3
SCHEMBL23365987 0.87 BTK (1.00) TXKITKBTKJAK3
SCHEMBL20161952 0.86 BTK (1.00) TXKITKBTKJAK3
SCHEMBL29694611 0.86 BTK (0.81) TXKITKBTKJAK3
SCHEMBL20139854 0.86 BTK (0.81) TXKITKBTKJAK3

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