Sugi Predict

Sugi Predict / Compounds / SCHEMBL4078207

SCHEMBL4078207

SCHEMBL4078207

COc1ccccc1-c1ccnc2c(-c3c(C)cccc3C)[n+]([O-])ccc12.COc1ccccc1-c1ccnc2c(-c3c(F)cccc3F)[n+]([O-])ccc12.COc1ccccc1-c1ccnc2c(-c3ccc(NS(C)(=O)=O)cc3C)[n+]([O-])ccc12.COc1ccccc1-c1ccnc2c(-c3ccccc3Cl)[n+]([O-])ccc12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 18/20 0.61
▸ CYP17A1 P05093 1/20 0.35
▸ NR3C1 P04150 1/20 0.35

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
SCHEMBL4074605 0.92 MAPK14 (0.57) MAPK14CYP17A1NR3C1
SCHEMBL2078019 0.87 MAPK14 (0.58) MAPK14CYP17A1
SCHEMBL4072292 0.80 MAPK14 (0.45) MAPK14CYP17A1NR3C1
SCHEMBL2079199 0.78 MAPK14 (0.68) MAPK14CYP17A1
SCHEMBL2076940 0.77 MAPK14 (0.78) MAPK14
SCHEMBL2081021 0.76 MAPK14 (0.69) MAPK14
SCHEMBL2078245 0.74 CYP17A1 (0.48) CYP17A1NR3C1
SCHEMBL4066955 0.72 MAPK14 (0.94) MAPK14
SCHEMBL4075090 0.70 MAPK14 (0.85) MAPK14
SCHEMBL2079052 0.70 MAPK14 (0.77) MAPK14

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 claimed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO claimed