SCHEMBL20161866

SCHEMBL20161866

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

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.71
BTK Q06187 7/20 0.65
TXK P42681 4/20 0.61
NTRK1 P04629 10/20 0.57
ITK Q08881 2/20 0.55

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
SCHEMBL29932944 0.93 JAK3 (0.71) JAK3BTKTXKNTRK1ITK
SCHEMBL20139064 0.93 JAK3 (0.71) JAK3BTKTXKNTRK1ITK
SCHEMBL24467287 0.89 JAK3 (0.69) JAK3BTKTXKNTRK1ITK
SCHEMBL20162010 0.87 JAK3 (0.63) JAK3BTKTXKNTRK1ITK
SCHEMBL23366094 0.85 JAK3 (0.80) JAK3BTKTXKNTRK1ITK
SCHEMBL20161915 0.85 JAK3 (0.80) JAK3BTKTXKNTRK1ITK
SCHEMBL29932937 0.83 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL20161437 0.83 JAK3 (1.00) JAK3BTKTXKITK
SCHEMBL23366056 0.83 JAK3 (0.84) JAK3BTKTXKNTRK1ITK
SCHEMBL27089741 0.83 JAK3 (0.80) JAK3BTKTXKNTRK1ITK

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