SCHEMBL5316368

SCHEMBL5316368

CCOCCC(CCOC)Nc1ncc2cc(Oc3ccc(F)cc3F)c(=O)n(C[C@H](C)O)c2n1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.59
MAPK8 P45983 6/20 0.59
MAPK11 Q15759 3/20 0.59
MAPK9 P45984 2/20 0.59
MAPK10 P53779 2/20 0.59
RPS6KA4 O75676 1/20 0.59
CSNK1E P49674 1/20 0.59
RPS6KA3 P51812 1/20 0.59
NLK Q9UBE8 1/20 0.59
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49

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
SCHEMBL5316364 1.00 MAPK14 (0.59) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2943315 0.95 MAPK14 (0.64) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2943312 0.95 MAPK14 (0.64) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2944573 0.88 MAPK14 (0.77) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2944570 0.88 MAPK14 (0.77) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2948180 0.86 MAPK14 (0.60) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2944578 0.86 MAPK14 (0.71) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2945163 0.86 MAPK14 (0.71) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL2946998 0.86 MAPK14 (0.71) MAPK14MAPK8MAPK11MAPK9MAPK10
SCHEMBL14266277 0.86 MAPK14 (0.71) MAPK14MAPK8MAPK11MAPK9MAPK10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1685131-B1 HYDROXYALKYL SUBSTITUTED PYRIDO-7-PYRIMIDIN-7-ONES HOFFMANN LA ROCHE (CH) 2007-03-07 EP disclosed