SCHEMBL10285815

SCHEMBL10285815

CN(C)[S+]([O-])NCc1ccc(Nc2cc(NCc3cccc4ccsc34)c(C(N)=O)cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.49
▸ IRAK4 Q9NWZ3 10/20 0.49
▸ JAK2 O60674 6/20 0.49
▸ JAK1 P23458 6/20 0.49
▸ TYK2 P29597 6/20 0.49
▸ CSF1R P07333 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ MAP4K4 O95819 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ STAT6 P42226 1/20 0.34

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
SCHEMBL2692511 0.87 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693012 0.87 JAK3 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696742 0.86 JAK3 (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694964 0.85 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696001 0.84 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693412 0.84 JAK3 (0.48) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695994 0.83 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693901 0.83 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693547 0.83 JAK3 (0.46) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696803 0.83 JAK3 (0.47) JAK3IRAK4JAK2JAK1TYK2

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-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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