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Sugi Predict / Compounds / SCHEMBL4075496

SCHEMBL4075496

SCHEMBL4075496

Cc1ccccc1-c1c2nc(C3CCNCC3)cc(-c3ccc(F)cc3F)c2cc[n+]1[O-].[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1c(F)cccc1F.[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1ccccc1Cl.[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(C3CCNCC3)nc2c1-c1ccccc1F

nearest known ligand 0.75

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.75
▸ MAPK13 O15264 1/20 0.75
▸ MAPK12 P53778 1/20 0.75
▸ MAPK11 Q15759 1/20 0.75

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
SCHEMBL4075495 1.00 MAPK14 (0.75) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2081225 0.89 MAPK14 (0.72) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080710 0.89 MAPK14 (0.84) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080836 0.87 MAPK14 (0.85) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2078183 0.87 MAPK14 (0.76) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079802 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2077628 0.86 MAPK14 (1.00) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4071382 0.85 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4076075 0.85 MAPK14 (0.81) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2079355 0.85 MAPK14 (0.88) MAPK14MAPK13MAPK12MAPK11

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-2049537-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS Laboratorios Almirall, S.A. (ES) 2009-04-22 — — EP disclosed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO disclosed