SCHEMBL24146293

SCHEMBL24146293

COc1cc(C)c(Sc2cnc(NC(=O)c3ccc(ON)cc3)s2)cc1C(=O)N1CCN(C(C)=O)CC1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 13/20 0.83
BTK Q06187 9/20 0.74
TXK P42681 8/20 0.74
PRKD3 O94806 1/20 0.74
PRKCG P05129 1/20 0.74
PRKCB P05771 1/20 0.74
INSR P06213 1/20 0.74
LCK P06239 1/20 0.74
FYN P06241 1/20 0.74
PRKCA P17252 1/20 0.74
PRKCH P24723 1/20 0.74
CDK2 P24941 1/20 0.74
LTK P29376 1/20 0.74
PRKCI P41743 1/20 0.74
TEC P42680 1/20 0.74
GSK3B P49841 1/20 0.74
IL2 P60568 1/20 0.74
PRKCE Q02156 1/20 0.74
PRKCQ Q04759 1/20 0.74
PRKCZ Q05513 1/20 0.74

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
SCHEMBL24146473 0.94 ITK (0.87) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460665 0.91 ITK (1.00) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460669 0.91 ITK (0.81) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460688 0.90 ITK (0.80) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460640 0.89 ITK (1.00) ITKBTKTXKPRKD3PRKCG
SCHEMBL14460656 0.89 ITK (1.00) ITKBTKTXKPRKD3PRKCG
SCHEMBL5658119 0.89 ITK (0.86) ITKBTKTXKPRKD3PRKCG
SCHEMBL26184582 0.88 ITK (0.82) ITKBTKTXKPRKD3PRKCG
SCHEMBL25876184 0.88 ITK (0.77) ITKBTKTXKPRKD3PRKCG
SCHEMBL25876180 0.88 ITK (0.76) ITKBTKTXKPRKD3PRKCG

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-2021262636-A2 COMPOUNDS FOR TARGETED DEGRADATION OF INTERLEUKIN-2-INDUCIBLE T-CELL KINASE AND METHODS OF USE DANA-FARBER CANCER INSTITUTE, INC. (US) 2021-12-30 WO disclosed