SCHEMBL20161878

SCHEMBL20161878

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3sc(NC(C)=O)nc3C=CC(O)N3CCCN(C(=O)c4cc(Sc5cnc(NC(=O)C6CC6)s5)c(C)cc4OC)CC3)c(C)cc2OC)CC1

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.73
JAK3 P52333 15/20 0.73
TXK P42681 14/20 0.73
ITK Q08881 9/20 0.69

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
SCHEMBL20161845 0.92 JAK3 (0.78) BTKJAK3TXKITK
SCHEMBL23366080 0.87 JAK3 (0.65) BTKJAK3TXKITK
SCHEMBL20161488 0.85 BTK (1.00) BTKJAK3TXKITK
SCHEMBL20161688 0.85 BTK (1.00) BTKJAK3TXKITK
SCHEMBL24467368 0.85 JAK3 (0.76) BTKJAK3TXKITK
SCHEMBL20161227 0.83 JAK3 (1.00) BTKJAK3TXKITK
SCHEMBL20161689 0.83 BTK (1.00) BTKJAK3TXKITK
SCHEMBL23366083 0.82 JAK3 (0.81) BTKJAK3TXKITK
SCHEMBL20161730 0.82 JAK3 (1.00) BTKJAK3TXKITK
SCHEMBL20161861 0.82 JAK3 (1.00) BTKJAK3TXKITK

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