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SCHEMBL20161846

SCHEMBL20161846

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(NC(=O)CCc4cc(OC)c(C(=O)N5CCCN(C(=O)C=C)[C@H](C)C5)cc4Sc4cnc(NC(=O)c5cccc(CN(C)C)c5)s4)s3)c(C)cc2OC)C[C@H]1C

nearest known ligand 0.90

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 16/20 0.90
▸ ITK Q08881 7/20 0.90
▸ TXK P42681 16/20 0.83
▸ JAK3 P52333 13/20 0.83

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
SCHEMBL20161496 0.95 BTK (1.00) BTKITKTXKJAK3
SCHEMBL24467322 0.95 BTK (1.00) BTKITKTXKJAK3
SCHEMBL20161421 0.91 BTK (1.00) BTKITKTXKJAK3
SCHEMBL24467234 0.91 BTK (1.00) BTKITKTXKJAK3
SCHEMBL29933053 0.86 BTK (1.00) BTKITKTXKJAK3
SCHEMBL20139546 0.86 BTK (1.00) BTKITKTXKJAK3
SCHEMBL23365987 0.85 BTK (1.00) BTKITKTXKJAK3
SCHEMBL23365950 0.85 BTK (0.88) BTKITKTXKJAK3
SCHEMBL20161532 0.85 BTK (1.00) BTKITKTXKJAK3
SCHEMBL24467351 0.85 BTK (1.00) BTKITKTXKJAK3

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