SCHEMBL2729767

SCHEMBL2729767

CCCN(C)c1ccc(Nc2cc(NCc3cccc4cc[nH]c34)c(C(N)=O)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.46
▸ JAK2 O60674 8/20 0.46
▸ JAK1 P23458 8/20 0.46
▸ IRAK4 Q9NWZ3 7/20 0.46
▸ TYK2 P29597 7/20 0.46
▸ CSF1R P07333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ PDPK1 O15530 1/20 0.35

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
SCHEMBL2694157 0.89 JAK3 (0.47) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2695616 0.89 JAK3 (0.48) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2696531 0.87 JAK3 (0.46) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2726438 0.87 JAK3 (0.46) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2695414 0.86 JAK3 (0.52) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2695096 0.85 SYK (0.47) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2693181 0.85 JAK3 (0.51) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2693949 0.84 JAK3 (0.50) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2697481 0.82 JAK3 (0.46) JAK3JAK2JAK1IRAK4TYK2
SCHEMBL2695093 0.81 JAK3 (0.47) JAK3JAK2JAK1IRAK4TYK2

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