SCHEMBL20162022

SCHEMBL20162022

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)C4CC4/C=C/C(=O)N4CCCN(C(=O)c5cc(Sc6cnc(NC(=O)c7ccsc7)s6)c(C)cc5OC)C[C@H]4C(C)(C)C)s3)c(C)cc2OC)C[C@H]1C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.72
JAK3 P52333 14/20 0.72
TXK P42681 13/20 0.72
ITK Q08881 5/20 0.60

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
SCHEMBL23365948 1.00 BTK (0.72) BTKJAK3TXKITK
SCHEMBL24467365 0.94 BTK (0.66) BTKJAK3TXKITK
SCHEMBL20161221 0.93 JAK3 (0.82) BTKJAK3TXKITK
SCHEMBL23346261 0.93 JAK3 (0.82) BTKJAK3TXKITK
SCHEMBL23346253 0.84 BTK (1.00) BTKJAK3TXKITK
SCHEMBL20161486 0.84 BTK (1.00) BTKJAK3TXKITK
SCHEMBL23366076 0.84 BTK (1.00) BTKJAK3TXKITK
SCHEMBL23366063 0.84 JAK3 (1.00) BTKJAK3TXK
SCHEMBL24467237 0.84 JAK3 (1.00) BTKJAK3TXK
SCHEMBL23346252 0.84 BTK (0.83) 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