SCHEMBL20161915

SCHEMBL20161915

COc1cc(C)c(Sc2cnc(Nc3ccccn3)s2)cc1C(=O)N1CCNCC1

nearest known ligand 0.80

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 13/20 0.80
NTRK1 P04629 4/20 0.71
BTK Q06187 8/20 0.71
TXK P42681 6/20 0.68
ITK Q08881 4/20 0.64

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
SCHEMBL20161437 0.89 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL29932937 0.89 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL27089741 0.88 JAK3 (0.80) JAK3NTRK1BTKTXKITK
SCHEMBL20139056 0.88 JAK3 (0.78) JAK3NTRK1BTKTXKITK
SCHEMBL14461056 0.86 ITK (0.84) JAK3NTRK1BTKTXKITK
SCHEMBL7002646 0.85 NTRK1 (0.76) JAK3NTRK1BTKTXKITK
SCHEMBL29932944 0.85 JAK3 (0.71) JAK3NTRK1BTKTXKITK
SCHEMBL20139064 0.85 JAK3 (0.71) JAK3NTRK1BTKTXKITK
SCHEMBL20161866 0.85 JAK3 (0.71) JAK3NTRK1BTKTXKITK
SCHEMBL23366056 0.84 JAK3 (0.84) JAK3NTRK1BTKTXKITK

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