SCHEMBL2712356

SCHEMBL2712356

CN(C)C(=O)COc1ccc(Nc2cc(N(c3ccccc3)C3CC3)c(C(N)=O)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 11/20 0.46
▸ IRAK4 Q9NWZ3 6/20 0.46
▸ JAK2 O60674 4/20 0.46
▸ JAK1 P23458 4/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SYK P43405 4/20 0.41
▸ LIPE Q05469 1/20 0.41
▸ CSF1R P07333 1/20 0.39
▸ BTK Q06187 1/20 0.39
▸ EGFR P00533 1/20 0.38
▸ ERBB3 P21860 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38

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
SCHEMBL2713777 0.91 SYK (0.44) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2713052 0.83 MAPT (0.48) EGFRKDM4EMAPT
SCHEMBL2713076 0.82 JAK3 (0.43) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696203 0.77 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2713612 0.77 MAPK10 (0.55) SYK
SCHEMBL2713978 0.77 SYK (0.54) SYK
SCHEMBL2712299 0.76 SYK (0.55) JAK3JAK2JAK1TYK2SYK
SCHEMBL2712825 0.76 JAK3 (0.59) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2715553 0.76 SYK (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2713091 0.76 EGFR (0.44) 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
Send feedback