SCHEMBL2715238

SCHEMBL2715238

NC(=O)c1cnc(Nc2cccc(OCCN3CCCC3)c2)cc1N(c1ccccc1)C1CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.42
▸ SYK P43405 2/20 0.41
▸ SIRT2 Q8IXJ6 3/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MLNR O43193 3/20 0.41
▸ JAK3 P52333 3/20 0.40
▸ LTA4H P09960 1/20 0.40
▸ JAK2 O60674 1/20 0.40
▸ JAK1 P23458 1/20 0.40
▸ TYK2 P29597 1/20 0.40
▸ IRAK4 Q9NWZ3 1/20 0.40
▸ BACE1 P56817 1/20 0.40
▸ MET P08581 2/20 0.40
▸ YES1 P07947 1/20 0.39
▸ SRC P12931 1/20 0.39
▸ MAPK14 Q16539 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
SCHEMBL2713076 0.92 JAK3 (0.43) JAK3LTA4HJAK2JAK1TYK2
SCHEMBL2713777 0.83 SYK (0.44) SYKSIRT2JAK3JAK2JAK1
SCHEMBL2713091 0.82 EGFR (0.44) SYKKDM4EPOLBJAK3JAK2
SCHEMBL2713982 0.80 FAAH (0.41) FAAHKDM4EPOLBGAAMET
SCHEMBL2695958 0.78 JAK3 (0.45) FAAHSIRT2KDM4EPOLBGAA
SCHEMBL2713291 0.78 JAK3 (0.45) SYKJAK3JAK2JAK1TYK2
SCHEMBL2696683 0.77 SIRT2 (0.52) SIRT2JAK3JAK2JAK1TYK2
SCHEMBL2695006 0.77 IRAK4 (0.67) FAAHSYKSIRT2KDM4EPOLB
SCHEMBL2695003 0.77 IRAK4 (0.67) FAAHSYKSIRT2KDM4EPOLB
SCHEMBL2714011 0.77 SYK (0.51) SYKJAK2JAK1

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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