SCHEMBL2729062

SCHEMBL2729062

CN(c1cnn(C)c1)c1cc(Nc2ccc(C3CCOCC3)cc2)ncc1C(N)=O.NC(=O)c1cnc(Nc2ccc(C3CCOCC3)cc2)cc1NCc1nccs1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 13/20 0.43
▸ SYK P43405 2/20 0.38
▸ IRAK4 Q9NWZ3 6/20 0.37
▸ JAK2 O60674 4/20 0.37
▸ JAK1 P23458 3/20 0.37
▸ TYK2 P29597 3/20 0.37
▸ STAT6 P42226 1/20 0.35
▸ KDM4C Q9H3R0 2/20 0.34
▸ KDM6B O15054 1/20 0.34
▸ MAPK9 P45984 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ CSF1R P07333 1/20 0.33
▸ BTK Q06187 1/20 0.33

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
SCHEMBL2729064 0.89 JAK3 (0.49) JAK3SYKIRAK4JAK2JAK1
SCHEMBL2696792 0.87 JAK3 (0.49) JAK3SYKIRAK4JAK2JAK1
SCHEMBL2696306 0.87 SYK (0.44) JAK3SYKJAK2JAK1TYK2
SCHEMBL2696305 0.80 JAK3 (0.54) JAK3SYKIRAK4JAK2JAK1
SCHEMBL2696786 0.80 SYK (0.44) JAK3SYKJAK2JAK1TYK2
SCHEMBL2696031 0.77 JAK3 (0.68) JAK3SYKIRAK4JAK2JAK1
SCHEMBL2695407 0.76 JAK3 (0.55) JAK3SYKSTAT6BTK
SCHEMBL2695609 0.76 SYK (0.44) JAK3SYKJAK2JAK1TYK2
SCHEMBL2694470 0.75 JAK3 (0.54) JAK3SYKIRAK4JAK2JAK1
SCHEMBL2695608 0.75 JAK3 (0.51) JAK3SYKIRAK4JAK2JAK1

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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