SCHEMBL2729064

SCHEMBL2729064

Cn1cc(CNc2cc(Nc3ccc(C4CCOCC4)cc3)ncc2C(N)=O)cn1.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 15/20 0.49
▸ IRAK4 Q9NWZ3 6/20 0.44
▸ JAK2 O60674 5/20 0.44
▸ JAK1 P23458 5/20 0.44
▸ TYK2 P29597 4/20 0.44
▸ STAT6 P42226 2/20 0.40
▸ SYK P43405 2/20 0.40
▸ CSF1R P07333 1/20 0.38
▸ BTK Q06187 1/20 0.38
▸ MAPK1 P28482 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
SCHEMBL2696305 0.92 JAK3 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696792 0.91 JAK3 (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2729062 0.89 JAK3 (0.43) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696031 0.80 JAK3 (0.68) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695405 0.80 JAK3 (0.71) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694470 0.79 JAK3 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2695608 0.78 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2696694 0.78 JAK3 (0.58) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2479411 0.78 JAK3 (0.54) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2694027 0.78 JAK3 (0.53) 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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