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SCHEMBL2661073

SCHEMBL2661073

Cc1ccc(NC(=O)Nc2ncc(CCc3nc(C(=O)OC(=O)c4cc(NC(=O)c5cnc(NC(=O)Nc6ccc(C)cc6OCC(C)C)s5)n(C)n4)c(C)[nH]3)s2)c(OCC(C)C)c1

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 19/20 0.37
▸ MAPK13 O15264 3/20 0.33
▸ LCK P06239 1/20 0.32

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
SCHEMBL2661068 0.92 MAPK14 (0.37) MAPK14MAPK13LCK
SCHEMBL1343413 0.82 MAPK14 (0.38) MAPK14MAPK13
SCHEMBL1342810 0.81 MAPK14 (0.39) MAPK14MAPK13LCK
SCHEMBL1341875 0.75 MAPK14 (0.36) MAPK14MAPK13
SCHEMBL1342610 0.74 NTRK1 (0.50) —
SCHEMBL2657494 0.74 MAPK14 (0.38) MAPK14MAPK13
SCHEMBL1340328 0.73 MAPK14 (0.37) MAPK14MAPK13
SCHEMBL1340987 0.73 PDE5A (0.39) MAPK14MAPK13
SCHEMBL1342077 0.73 MAPK14 (0.42) MAPK14MAPK13
SCHEMBL1342819 0.72 MAPK14 (0.38) MAPK14MAPK13

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-1531815-A1 GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2005-05-25 — — EP disclosed
WO-2004002481-A1 ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS NOVO NORDISK A/S (DK) 2004-01-08 — — WO disclosed