SCHEMBL20162002

SCHEMBL20162002

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

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TXK P42681 17/20 0.66
BTK Q06187 15/20 0.66
JAK3 P52333 14/20 0.66
ITK Q08881 9/20 0.66

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
SCHEMBL23366064 0.84 JAK3 (0.82) TXKBTKJAK3ITK
SCHEMBL20161769 0.83 JAK3 (0.67) TXKBTKJAK3ITK
SCHEMBL27089789 0.82 JAK3 (0.83) TXKBTKJAK3ITK
SCHEMBL24467233 0.82 JAK3 (0.66) TXKBTKJAK3ITK
SCHEMBL24467325 0.82 TXK (0.84) TXKBTKJAK3ITK
Soquelitinib SCHEMBL24467290 0.80 TXK (1.00) TXKBTKJAK3ITK
Soquelitinib SCHEMBL20161402 0.80 TXK (1.00) TXKBTKJAK3ITK
Soquelitinib SCHEMBL20161546 0.80 TXK (1.00) TXKBTKJAK3ITK
SCHEMBL20161678 0.80 JAK3 (1.00) TXKBTKJAK3ITK
SCHEMBL24467300 0.80 JAK3 (1.00) TXKBTKJAK3ITK

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