SCHEMBL2712474

SCHEMBL2712474

CCC(=O)N1CCN(c2ccc(Nc3cc(N(c4cccc(F)c4F)C4CC4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 18/20 0.54
▸ JAK3 P52333 3/20 0.45
▸ JAK1 P23458 3/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ CHEK1 O14757 2/20 0.42
▸ RET P07949 2/20 0.42
▸ TYK2 P29597 2/20 0.42
▸ FLT3 P36888 2/20 0.42
▸ RPS6KA3 P51812 2/20 0.42
▸ MAPK10 P53779 2/20 0.42
▸ STK4 Q13043 2/20 0.42
▸ STK3 Q13188 2/20 0.42
▸ MARK2 Q7KZI7 2/20 0.42
▸ TBK1 Q9UHD2 2/20 0.42
▸ RPS6KA6 Q9UK32 2/20 0.42
▸ NUAK1 O60285 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ FLT4 P35916 1/20 0.42
▸ MAP3K9 P80192 1/20 0.42
▸ ITK Q08881 1/20 0.42

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
SCHEMBL2712299 0.87 SYK (0.55) SYKJAK3JAK1JAK2CHEK1
SCHEMBL2716479 0.85 SYK (0.53) SYK
SCHEMBL2694028 0.81 STAT6 (0.56) SYKJAK3JAK1JAK2TYK2
SCHEMBL2694360 0.79 SYK (0.50) SYKJAK3JAK1JAK2CHEK1
SCHEMBL2713978 0.78 SYK (0.54) SYK
SCHEMBL2712825 0.76 JAK3 (0.59) SYKJAK3JAK1JAK2TYK2
SCHEMBL2483210 0.75 STAT6 (0.53) SYKJAK3JAK1JAK2TYK2
SCHEMBL2696712 0.74 SYK (0.58) SYK
SCHEMBL12301631 0.74 STAT6 (0.55) SYKJAK3JAK1JAK2TYK2
SCHEMBL2714357 0.73 SYK (0.54) SYKJAK3JAK1JAK2TYK2

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 4 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
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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