SCHEMBL2712299

SCHEMBL2712299

CCC(=O)N1CCN(c2ccc(Nc3cc(N(c4ccccc4)C4CC4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 17/20 0.55
▸ JAK3 P52333 4/20 0.47
▸ JAK1 P23458 3/20 0.46
▸ JAK2 O60674 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ CHEK1 O14757 2/20 0.43
▸ RET P07949 2/20 0.43
▸ TYK2 P29597 2/20 0.43
▸ FLT3 P36888 2/20 0.43
▸ RPS6KA3 P51812 2/20 0.43
▸ MAPK10 P53779 2/20 0.43
▸ STK4 Q13043 2/20 0.43
▸ STK3 Q13188 2/20 0.43
▸ MARK2 Q7KZI7 2/20 0.43
▸ TBK1 Q9UHD2 2/20 0.43
▸ RPS6KA6 Q9UK32 2/20 0.43
▸ NUAK1 O60285 1/20 0.43
▸ CSF1R P07333 1/20 0.43
▸ FLT4 P35916 1/20 0.43
▸ MAP3K9 P80192 1/20 0.43

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
SCHEMBL2713978 0.91 SYK (0.54) SYK
SCHEMBL2712825 0.89 JAK3 (0.59) SYKJAK3JAK1JAK2TYK2
SCHEMBL2712474 0.87 SYK (0.54) SYKJAK3JAK1JAK2CHEK1
SCHEMBL2713612 0.86 MAPK10 (0.55) SYKMAPK10MAPK8MAPK9
SCHEMBL2714357 0.85 SYK (0.54) SYKJAK3JAK1JAK2TYK2
SCHEMBL2716322 0.83 SYK (0.47) SYKJAK3MAPK10MAPK8
SCHEMBL12301627 0.81 JAK3 (0.66) SYKJAK3JAK1JAK2MAPT
SCHEMBL2713052 0.81 MAPT (0.48) MAPT
SCHEMBL2716479 0.80 SYK (0.53) SYK
SCHEMBL2714011 0.79 SYK (0.51) SYKJAK1JAK2MAPK10MAPK9

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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