SCHEMBL2726438

SCHEMBL2726438

CCCN(C)c1ccc(Nc2cc(NCc3cccc4[nH]ccc34)c(C(N)=O)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 14/20 0.46
▸ IRAK4 Q9NWZ3 7/20 0.46
▸ JAK2 O60674 6/20 0.46
▸ JAK1 P23458 5/20 0.46
▸ TYK2 P29597 4/20 0.46
▸ CSF1R P07333 1/20 0.41
▸ BTK Q06187 1/20 0.41
▸ SYK P43405 2/20 0.39
▸ HPGDS O60760 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ MAP4K4 O95819 1/20 0.35
▸ GSK3B P49841 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
SCHEMBL2693150 0.89 JAK3 (0.47) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2692966 0.89 JAK3 (0.48) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2729767 0.87 JAK3 (0.46) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696724 0.87 JAK3 (0.46) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695485 0.85 SYK (0.46) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696008 0.85 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695523 0.85 JAK3 (0.53) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695610 0.84 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2693112 0.83 JAK3 (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696060 0.82 JAK3 (0.46) 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 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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