SCHEMBL2216787

SCHEMBL2216787

CCOC(=O)Oc1c(C)nn(-c2cc(C(=O)NC3CC3)ccc2C)c1N

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 14/20 0.48
MAPK11 Q15759 2/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
SSTR5 P35346 1/20 0.42
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
CASP1 P29466 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PAX8 Q06710 1/20 0.41
ALOX15 P16050 1/20 0.41
KIT P10721 1/20 0.40

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
SCHEMBL2214450 0.89 MAPK14 (0.46) MAPK14MAPK11CYP3A4CYP2C9SSTR5
SCHEMBL2215104 0.87 MAPK14 (0.46) MAPK14MAPK11CYP3A4CYP2C9SSTR5
SCHEMBL1382659 0.85 MAPK14 (0.50) MAPK14MAPK11CYP3A4CYP2C9HSD17B10
SCHEMBL2220451 0.83 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9SSTR5
SCHEMBL11965680 0.80 MAPK14 (0.55) MAPK14MAPK11CYP3A4CYP2C9HPGD
SCHEMBL11982571 0.79 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9SSTR5
SCHEMBL11965677 0.79 MAPK14 (0.54) MAPK14MAPK11CYP3A4CYP2C9HPGD
SCHEMBL2218015 0.79 LMNA (0.45) MAPK14
SCHEMBL1385810 0.78 MAPK14 (0.47) MAPK14MAPK11CYP3A4CYP2C9HSD17B10
SCHEMBL2212815 0.77 MAPK14 (0.48) MAPK14MAPK11CYP3A4CYP2C9

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-1641764-B1 5-MEMBERED HETEROCYCLE-BASED P38 KINASE INHIBITORS NOVARTIS AG (CH) 2011-07-27 EP claimed