SCHEMBL3815355

SCHEMBL3815355

CCOC(=O)Oc1csc(Nc2cc(C(=O)NC3CC3)ccc2C)n1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 16/20 0.51
MAPK11 Q15759 9/20 0.51
MAPK13 O15264 1/20 0.46
MAPK12 P53778 1/20 0.46
CYP3A4 P08684 1/20 0.42
BRAF P15056 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
SCHEMBL3317604 0.85 LMNA (0.52) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3819082 0.81 MAPK14 (0.49) MAPK14MAPK11MAPK13MAPK12CYP3A4
SCHEMBL3315767 0.77 MAPK14 (0.58) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3319102 0.76 MAPK14 (0.58) MAPK14MAPK11CYP3A4
SCHEMBL3318631 0.76 MAPK14 (0.51) MAPK14MAPK11MAPK13MAPK12CYP3A4
SCHEMBL3314066 0.75 MAPK14 (0.59) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3822037 0.75 MAPK11 (0.43) MAPK14MAPK11MAPK13MAPK12
SCHEMBL5025037 0.74 MAPK14 (0.53) MAPK14MAPK11MAPK13MAPK12BRAF
SCHEMBL3313975 0.74 MAPK14 (0.50) MAPK14MAPK11MAPK13MAPK12
SCHEMBL3317469 0.74 HPGDS (0.56) MAPK14MAPK11MAPK13MAPK12CYP3A4

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