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Sugi Predict / Compounds / SCHEMBL4255507

SCHEMBL4255507

SCHEMBL4255507

Cc1ccccc1-c1nccc2c(-c3cccc(F)c3F)cc(NC3CCNCC3)nc12.Fc1ccc(-c2cc(N3CCNCC3)nc3c(-c4c(Cl)cccc4Cl)nccc23)c(F)c1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 6/20 0.47
▸ ATR Q13535 14/20 0.40
▸ ATRIP Q8WXE1 11/20 0.40
▸ MAPK13 O15264 2/20 0.38
▸ MAPK12 P53778 2/20 0.38
▸ MAPK11 Q15759 2/20 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
SCHEMBL2079128 0.84 MAPK14 (0.56) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2080915 0.84 MAPK14 (0.60) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL4069855 0.83 MAPK14 (0.62) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2078868 0.82 ATR (0.56) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2080180 0.82 ATR (0.56) MAPK14ATRATRIP
SCHEMBL2079157 0.81 MAPK14 (0.56) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2077611 0.79 ATR (0.56) MAPK14ATRATRIP
SCHEMBL2080167 0.79 MAPK14 (0.68) MAPK14ATRATRIPMAPK13MAPK12
SCHEMBL2079418 0.76 ATR (0.58) MAPK14ATRATRIP
SCHEMBL4068702 0.73 MAPK14 (0.70) 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 claimed
WO-2008017461-A1 1, 7-NAPHTHYRIDINE DERIVATIVES AS P38 MAP KINASE INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2008-02-14 — — WO claimed