SCHEMBL2713346

SCHEMBL2713346

CN(C(=O)C1CCNCC1)c1cc(Nc2cc(NC3(c4ccccc4)CC3)c(C(N)=O)cn2)ccc1Cl

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.42
▸ JAK2 O60674 11/20 0.42
▸ JAK1 P23458 10/20 0.42
▸ TYK2 P29597 10/20 0.42
▸ MAP4K4 O95819 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ IRAK4 Q9NWZ3 4/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ SYK P43405 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
SCHEMBL2713024 0.82 JAK3 (0.38) JAK3JAK2JAK1TYK2MAP4K4
SCHEMBL2694742 0.77 JAK3 (0.48) JAK3JAK2JAK1TYK2MAP4K4
SCHEMBL2696791 0.76 JAK3 (0.48) JAK3JAK2JAK1TYK2MAP4K4
SCHEMBL2697251 0.73 JAK3 (0.46) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL2695389 0.72 JAK3 (0.53) JAK3JAK2JAK1TYK2MAP4K4
SCHEMBL2696203 0.72 JAK3 (0.50) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL2695863 0.70 JAK3 (0.48) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL2696548 0.70 VNN1 (0.45) JAK3JAK2JAK1TYK2MAP4K4
SCHEMBL4404194 0.69 STAT6 (0.50) JAK3JAK2JAK1TYK2IRAK4
SCHEMBL2693554 0.69 JAK3 (0.65) JAK3JAK2JAK1TYK2IRAK4

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 2 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
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