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SCHEMBL20161844

SCHEMBL20161844

C=CC(=O)N1C[C@@H]2C[C@H]1CN2C(=O)c1cc(Sc2sc(NC(C)=O)nc2/C=C/C(=O)N2C[C@@H]3C[C@H]2CN3C(=O)c2cc(Sc3cnc(NC(=O)C4CC4)s3)c(C)cc2OC)c(C)cc1OC

nearest known ligand 0.78

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.78
▸ BTK Q06187 17/20 0.76
▸ TXK P42681 14/20 0.76
▸ ITK Q08881 4/20 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
SCHEMBL24467271 0.92 JAK3 (0.76) JAK3BTKTXKITK
SCHEMBL24467180 0.89 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161864 0.89 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161845 0.87 JAK3 (0.78) JAK3BTKTXKITK
SCHEMBL20161868 0.87 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL24467211 0.87 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL23366066 0.84 TXK (0.81) JAK3BTKTXKITK
SCHEMBL20161226 0.84 JAK3 (0.80) JAK3BTKTXKITK
SCHEMBL27089725 0.82 JAK3 (0.87) JAK3BTKTXKITK
SCHEMBL20161878 0.81 BTK (0.73) JAK3BTKTXKITK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3534899-B1 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS INC (US) 2022-06-01 — — EP disclosed
WO-2018089261-A2 COMPOUNDS AND METHODS FOR MODULATING INTERLEUKIN-2-INDUCIBLE T-CELL KINASE CORVUS PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed