SCHEMBL28778517

SCHEMBL28778517

Cn1c(=O)oc2cc(Nc3nc(N)nc(-c4ccccc4S(C)(=O)=O)c3F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK1 P23458 2/20 0.47
▸ JAK3 P52333 2/20 0.47
▸ MEN1 O00255 4/20 0.41
▸ KMT2A Q03164 4/20 0.41
▸ PKM P14618 7/20 0.40
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ GFER P55789 1/20 0.37
▸ PIK3CD O00329 4/20 0.36
▸ POLB P06746 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
SCHEMBL340760 0.75 JAK3 (0.55) JAK1JAK3MEN1KMT2APKM
SCHEMBL29609678 0.73 JAK3 (0.51) JAK1JAK3MEN1KMT2APKM
SCHEMBL340050 0.73 JAK3 (0.67) JAK1JAK3MEN1KMT2APKM
SCHEMBL341507 0.71 JAK3 (0.61) JAK1JAK3MEN1KMT2APKM
SCHEMBL339033 0.70 GLO1 (0.57) JAK1JAK3MEN1KMT2APKM
SCHEMBL341465 0.69 JAK3 (0.58) JAK1JAK3MEN1KMT2APKM
SCHEMBL339032 0.69 JAK1 (0.62) JAK1JAK3MEN1KMT2APKM
SCHEMBL340759 0.69 JAK1 (0.70) JAK1JAK3PKMLMNATP53
SCHEMBL339296 0.68 JAK3 (0.74) JAK1JAK3MEN1KMT2APKM
SCHEMBL341532 0.68 JAK3 (0.55) JAK1JAK3

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
CN-114698370-A Compounds and methods for treating cytokine release syndrome 里格尔药品股份有限公司 2022-07-01 — — CN disclosed
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