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SCHEMBL2649931

SCHEMBL2649931

Cc1ccc(NC(=O)Nc2ncc(CCc3nnn[nH]3)s2)c(C(=O)C2CCCC2)c1.Cc1ccc(NC(=O)Nc2ncc(CCc3nnnn3C)s2)c(C(=O)C2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.40
▸ MAPK13 O15264 5/20 0.38

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
SCHEMBL1342307 0.93 MAPK14 (0.40) MAPK14MAPK13
SCHEMBL1343509 0.93 MAPK14 (0.45) MAPK14MAPK13
SCHEMBL2649928 0.87 MAPK14 (0.35) MAPK14MAPK13
SCHEMBL6694773 0.84 MAPK14 (0.39) MAPK14MAPK13
SCHEMBL4475244 0.82 MAPK14 (0.42) MAPK14MAPK13
SCHEMBL4477098 0.81 MAPK14 (0.40) MAPK14MAPK13
SCHEMBL1342224 0.81 LMNA (0.45) MAPK14MAPK13
SCHEMBL1341999 0.80 MAPK14 (0.38) MAPK14MAPK13
SCHEMBL1344209 0.79 MAPK14 (0.41) MAPK14MAPK13
SCHEMBL1343374 0.79 NTRK1 (0.47) 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