SCHEMBL20161432

SCHEMBL20161432

COc1cc(C)c(Sc2cnc(N)s2)cc1C(=O)N1CCCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITK Q08881 11/20 0.62
BTK Q06187 11/20 0.61
JAK3 P52333 11/20 0.61
TXK P42681 10/20 0.61

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
SCHEMBL25876456 0.92 ITK (0.61) ITKBTKJAK3TXK
SCHEMBL20162006 0.89 JAK3 (0.62) ITKBTKJAK3TXK
SCHEMBL14460569 0.89 ITK (0.70) ITKBTKJAK3TXK
SCHEMBL30291400 0.89 ITK (0.70) ITKBTKJAK3TXK
SCHEMBL29932924 0.88 TXK (0.61) ITKBTKJAK3TXK
SCHEMBL20161228 0.88 TXK (0.61) ITKBTKJAK3TXK
SCHEMBL24467257 0.86 BTK (0.82) ITKBTKJAK3TXK
SCHEMBL14460588 0.86 ITK (0.60) ITKBTKJAK3TXK
SCHEMBL14461105 0.85 JAK3 (0.63) ITKBTKJAK3TXK
SCHEMBL24467279 0.84 ITK (0.83) ITKBTKJAK3TXK

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