SCHEMBL20161891

SCHEMBL20161891

C=CC(=O)N1CCCN(C(=O)c2cc(Sc3cnc(Nc4ccccn4)s3)c(C)cc2OC)CC1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 1.00
BTK Q06187 14/20 1.00
TXK P42681 12/20 1.00
ITK Q08881 7/20 0.75

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
SCHEMBL20161214 1.00 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL23365955 0.92 BTK (1.00) JAK3BTKTXKITK
SCHEMBL20161497 0.92 BTK (1.00) JAK3BTKTXKITK
SCHEMBL23346255 0.92 JAK3 (0.84) JAK3BTKTXKITK
SCHEMBL20161217 0.92 JAK3 (0.84) JAK3BTKTXKITK
SCHEMBL20161485 0.91 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL23346258 0.91 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL24467313 0.91 TXK (1.00) JAK3BTKTXKITK
SCHEMBL20161502 0.91 TXK (1.00) JAK3BTKTXKITK
SCHEMBL27089733 0.89 JAK3 (0.81) 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