SCHEMBL2713291

SCHEMBL2713291

NC(=O)c1cnc(Nc2cccc(CN3CCOCC3)c2)cc1N(c1ccccc1)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 6/20 0.45
▸ IRAK4 Q9NWZ3 4/20 0.45
▸ JAK2 O60674 2/20 0.45
▸ JAK1 P23458 2/20 0.45
▸ TYK2 P29597 2/20 0.45
▸ AURKA O14965 2/20 0.44
▸ RPS6KB1 P23443 2/20 0.44
▸ CDK1 P06493 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ BTK Q06187 1/20 0.42
▸ ULK1 O75385 2/20 0.42
▸ ULK2 Q8IYT8 2/20 0.42
▸ SYK P43405 1/20 0.41
▸ TBK1 Q9UHD2 3/20 0.41
▸ IKBKE Q14164 2/20 0.41
▸ NUAK1 O60285 1/20 0.41
▸ MARK3 P27448 1/20 0.41

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
SCHEMBL2715553 0.92 SYK (0.49) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2714011 0.86 SYK (0.51) JAK2JAK1SYKCCNA2CDK2
SCHEMBL2713612 0.83 MAPK10 (0.55) SYK
SCHEMBL2713091 0.83 EGFR (0.44) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2713052 0.79 MAPT (0.48) —
SCHEMBL2715238 0.78 FAAH (0.42) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2692999 0.78 JAK3 (0.50) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2712360 0.77 SYK (0.45) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL2716322 0.76 SYK (0.47) JAK3SYKCCNA2CDK2
SCHEMBL2713777 0.75 SYK (0.44) 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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