SCHEMBL3819082

SCHEMBL3819082

CCOC(=O)Oc1nc(Nc2cc(C(=O)NC3CC3)ccc2C)sc1Br

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 17/20 0.49
MAPK11 Q15759 15/20 0.49
MAPK13 O15264 3/20 0.42
MAPK12 P53778 3/20 0.42
CYP3A4 P08684 1/20 0.41

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
SCHEMBL3318631 0.85 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12CYP3A4
SCHEMBL3815355 0.81 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12CYP3A4
SCHEMBL3820383 0.79 MAPK11 (0.45) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3822037 0.79 MAPK11 (0.43) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3317604 0.76 LMNA (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL13538845 0.74 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3827193 0.74 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3821217 0.74 MAPK14 (0.45) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3317830 0.73 MAPK14 (0.44) MAPK14MAPK11MAPK13MAPK12
SCHEMBL13538846 0.72 DHODH (0.49) MAPK14MAPK11

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-1635824-B1 5-MEMBERED HETEROCYCLE-BASED P-38 INHIBITORS NOVARTIS AG (CH) 2009-08-19 EP claimed