SCHEMBL20161618

SCHEMBL20161618

COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)N1CCC2(CN(C)C2)C1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.61
BTK Q06187 12/20 0.61
ITK Q08881 8/20 0.51
TXK P42681 8/20 0.51

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
SCHEMBL24467210 0.95 JAK3 (0.59) JAK3BTKITKTXK
SCHEMBL24467227 0.86 JAK3 (0.67) JAK3BTKITKTXK
SCHEMBL25876456 0.84 ITK (0.61) JAK3BTKITKTXK
SCHEMBL20161432 0.83 ITK (0.62) JAK3BTKITKTXK
SCHEMBL30291400 0.83 ITK (0.70) JAK3BTKITKTXK
SCHEMBL14460569 0.83 ITK (0.70) JAK3BTKITKTXK
SCHEMBL14460588 0.82 ITK (0.60) JAK3BTKITKTXK
SCHEMBL14461105 0.79 JAK3 (0.63) JAK3BTKITKTXK
SCHEMBL20162006 0.78 JAK3 (0.62) JAK3BTKITKTXK
SCHEMBL29932902 0.77 JAK3 (0.47) JAK3BTKITKTXK

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