SCHEMBL2713777

SCHEMBL2713777

CN(C)C(=O)COc1cccc(Nc2cc(N(c3ccccc3)C3CC3)c(C(N)=O)cn2)c1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 6/20 0.44
▸ JAK3 P52333 7/20 0.44
▸ IRAK4 Q9NWZ3 3/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ SIRT2 Q8IXJ6 4/20 0.41
▸ PDE4B Q07343 3/20 0.41
▸ CSF1R P07333 1/20 0.39
▸ BTK Q06187 1/20 0.39

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
SCHEMBL2712356 0.91 JAK3 (0.46) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2713091 0.84 EGFR (0.44) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2715238 0.83 FAAH (0.42) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2695863 0.78 JAK3 (0.48) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2716322 0.76 SYK (0.47) SYKJAK3
SCHEMBL2713052 0.76 MAPT (0.48) —
SCHEMBL2712360 0.75 SYK (0.45) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2714011 0.75 SYK (0.51) SYKJAK2JAK1
SCHEMBL2713291 0.75 JAK3 (0.45) SYKJAK3IRAK4JAK2JAK1
SCHEMBL2713076 0.74 JAK3 (0.43) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP claimed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO claimed
EP-2635557-A2 NICOTINAMIDES AS JAK KINASE MODULATORS Portola Pharmaceuticals, Inc. (US) 2013-09-11 — — EP disclosed
WO-2012061428-A2 NICOTINAMIDES AS JAK KINASE MODULATORS PORTOLA PHARMACEUTICALS, INC. (US) 2012-05-10 — — WO disclosed
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