SCHEMBL5707007

SCHEMBL5707007

CCc1c(C(N)=O)ccc(C)c1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ F11 P03951 3/20 0.34
▸ F2 P00734 2/20 0.33
▸ PRSS1 P07477 2/20 0.33
▸ PRSS2 P07478 2/20 0.33
▸ PRSS3 P35030 2/20 0.33
▸ CDC7 O00311 1/20 0.32
▸ LPL P06858 3/20 0.32
▸ LIPG Q9Y5X9 3/20 0.32
▸ HIF1A Q16665 2/20 0.31
▸ SIRT3 Q9NTG7 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ BRD4 O60885 1/20 0.30
▸ PKM P14618 1/20 0.30

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
SCHEMBL22468534 0.89 LIPG (0.39) F11F2PRSS1PRSS2PRSS3
SCHEMBL7046117 0.83 F11 (0.31) F11F2PRSS1PRSS2PRSS3
SCHEMBL1291127 0.82 F11 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL28507189 0.80 F11 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL28452781 0.80 F11 (0.35) F11F2PRSS1PRSS2PRSS3
SCHEMBL3823509 0.76 CCNC (0.34) F11F2PRSS1PRSS2PRSS3
SCHEMBL21358508 0.74 F11 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL5706992 0.74 CDC7 (0.34) F11F2PRSS1PRSS2PRSS3
SCHEMBL1163798 0.74 F11 (0.44) F11F2PRSS1PRSS2PRSS3
SCHEMBL428319 0.74 F11 (0.44) F11F2PRSS1PRSS2PRSS3

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-1709028-A1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
EP-1708996-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-11 — — EP disclosed
WO-2005073189-A1 FUSED HETEROYRAL DERIVATIVES FOR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 — — WO disclosed
WO-2005073217-A1 FUSED HETEROARYL DERIVATIVES AND THEIR USE AS P38 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2005-08-11 — — WO disclosed
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