SCHEMBL4246296

SCHEMBL4246296

COc1cccc(OC)c1-c1nccc2c(-c3ccc(F)cc3F)ccnc12.Cc1ccccc1-c1nccc2c(-c3cccc(F)c3F)cc(C3CCNCC3)nc12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.44
MAPK13 O15264 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
CDK9 P50750 11/20 0.41
CCNT1 O60563 10/20 0.41
CDK1 P06493 2/20 0.41
CDK2 P24941 1/20 0.41
CASP3 P42574 1/20 0.41
GSK3B P49841 1/20 0.41
CDK7 P50613 1/20 0.41
CASP7 P55210 1/20 0.41
ALK Q9UM73 1/20 0.37
MAP4K1 Q92918 1/20 0.37

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
SCHEMBL2080378 0.86 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11CDK9
Sulfuric Acid SCHEMBL4067935 0.82 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11CDK9
SCHEMBL4076097 0.81 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4076100 0.81 MAPK14 (0.59) MAPK14MAPK13MAPK12MAPK11
SCHEMBL2078495 0.81 MAPK14 (0.54) MAPK14MAPK13MAPK12MAPK11CDK9
SCHEMBL2079289 0.81 MAPK14 (0.58) MAPK14MAPK13MAPK12MAPK11CDK9
SCHEMBL4071382 0.79 MAPK14 (0.69) MAPK14MAPK13MAPK12MAPK11
SCHEMBL4067939 0.77 MAPK14 (0.60) MAPK14MAP4K1
SCHEMBL2080269 0.77 MAPK14 (0.60) MAPK14MAPK13MAPK12MAPK11CDK9
SCHEMBL2079373 0.77 MAPK14 (0.68) MAPK14MAPK13MAPK12MAPK11CDK9

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