SCHEMBL20162005

SCHEMBL20162005

COc1cc(C)c(Sc2cnc(N)s2)cc1C

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 9/20 0.39
TXK P42681 9/20 0.39
ITK Q08881 9/20 0.39
BTK Q06187 9/20 0.39
MYC P01106 1/20 0.37
WDR5 P61964 1/20 0.37
NOS1 P29475 1/20 0.36

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
SCHEMBL5657783 0.83 JAK3 (0.47) JAK3TXKITKBTK
SCHEMBL29932902 0.83 JAK3 (0.47) JAK3TXKITKBTK
SCHEMBL20161423 0.81 JAK3 (0.47) JAK3TXKITKBTK
SCHEMBL24467251 0.81 JAK3 (0.46) JAK3TXKITKBTK
SCHEMBL29933013 0.79 POLB (0.46) MYCWDR5NOS1
SCHEMBL24467153 0.77 JAK3 (0.48) JAK3TXKITKBTK
SCHEMBL12510000 0.77 HAO1 (0.46) MYCWDR5
SCHEMBL14460569 0.76 ITK (0.70) JAK3TXKITKBTK
SCHEMBL30291400 0.76 ITK (0.70) JAK3TXKITKBTK
SCHEMBL14460588 0.75 ITK (0.60) JAK3TXKITKBTK

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