Sugi Predict

Sugi Predict / Compounds / SCHEMBL4076069

SCHEMBL4076069

SCHEMBL4076069

Cc1ccccc1-c1c2nc(N3CCNCC3)cc(-c3ccc(F)cc3F)c2cc[n+]1[O-].[O-][n+]1ccc2c(-c3ccc(F)cc3F)cc(N3CCNCC3)nc2c1-c1ccccc1Cl

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 20/20 0.65
▸ MAPK13 O15264 1/20 0.53
▸ MAPK12 P53778 1/20 0.53
▸ MAPK11 Q15759 1/20 0.53

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
SCHEMBL2079919 0.95 MAPK14 (0.71) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080704 0.95 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4070232 0.90 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2078628 0.87 MAPK14 (0.77) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2078642 0.82 MAPK14 (0.65) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4250272 0.82 MAPK14 (0.57) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4068702 0.82 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080774 0.80 MAPK14 (0.70) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2080062 0.79 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4075496 0.79 MAPK14 (0.75) 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